Contributed Scientific Presentations

CONFERENCE PRESENTATIONS, CONTRIBUTED

1. Infrared Absorption of Nb3Sn: A Probe of the Electronic Density of States. W.E. Pickett and P.B. Allen, Bull. Am. Phys. Soc. 18, 76 (1973).

2. Slater-Koster Interpolation of the Electron Energy Bands of Nb and Mo. W.E. Pickett and P.B. Allen, Institute of Physics Conf. Manchester, January 1976.

3. Evidence for Large Fermi Liquid Corrections in the Optical Constants of Nb and Mo. W.E. Pickett and P.B. Allen, Institute of Physics Conf. Manchester, January 1976.

4. Evidence for Large Fermi Liquid Corrections to the Optical Mass of Nb and Mo. W.E. Pickett and P.B. Allen, Bull. Am. Phys. Soc. 21, 350 (1976).

5. Isostructural Phase Transitions and Superconductivity in fcc La. W.E. Pickett, D.D. Koelling and A.J. Freeman, Bull. Am. Phys. Soc. 24, 268 (1979).

6. Local Density Functional Study of the alpha-gamma Isostructural Phase Transition in Cerium. W.E. Pickett, A.J. Freeman and D.D. Koelling, Bull. Am. Phys. Soc. 24, 268 (1979).

7. Theoretical Evidence for An Electronically Driven Isostructural Phase Transition in fcc Lanthanum. W.E. Pickett, A.J. Freeman and D.D. Koelling, Third Conf. on Superconductivity in d- and f- Band Metals, La Jolla, June 1979.

8. Self-Consistent Calculation of the Properties of a Monovacancy in Al. B. Chakraborty, W.E. Pickett and R.W. Siegel, Bull. Am. Phys. Soc. 25, 275 (1980).

9. Superconductivity in alpha-Ce vs. fcc La. W.E. Pickett, A.J. Freeman and D.D. Koelling, Bull. Am. Phys. Soc. 25, 364 (1980).

10. Implications of Density of States Structure for the Superconducting Transition Temperature. W.E. Pickett and B.M. Klein, Bull. Am. Phys. Soc. 25, 364 (1980).

11. Calculation of Forces on Atom in the Solid State. W.E. Pickett, Bull. Am. Phys. Soc. 26, 257 (1981).

12. Electronic Structure of the Laves Phase Compounds ZrV2, ZrFe2 and ZrCo2 and Their Pseudobinary Systems. B.M Klein, D.A. Papaconstantopoulos, L.L. Boyer and W.E. Pickett, Bull. Am. Phys. Soc. 26, 270 (1981).

13. A Theoretical Interpretation of the Supermodulus Effect in Metallic Artificial Superlattices. W.E. Pickett, Bull. Am. Phys. Soc. 26, 442 (1981).

14. Theory of Hydrogenated Silicon. D.A. Papaconstantopoulos, E.N. Economou and W.E. Pickett, Annual Photovoltaics DoE Meeting, Colorado Springs, November 1980.

15. Calculations of Transport Properties in a-Si:H. D.A. Papaconstantopoulos, W.E. Pickett and E.N. Economou, 9th Int. Conf. on Amorphous and Liquid Semiconductors, Grenoble, July 1981.

16. Electronic Structure of Transition Metal Carbides, Nitrides and Borides. D.A. Papconstantopoulos, B.M. Klein, L.L. Boyer and W.E. Pickett, TMS-AIME Annual Amer. Ceramic Soc. Meeting, Louisville, October 1981.

17. Theoretical Prediction of MoN as a High Tc Superconductor. W.E. Pickett, B.M. Klein and D.A. Papconstantopoulos, 16th Int. Conf. on Low Temperature Physics, UCLA, August, 1981.

18. Parameter-free Calculation of the Enhanced Spin Susceptibility of Nb3Sn Including Electron-Phonon Effects. W.E. Pickett, 16th Int. Conf. on Low Temperature Physics, UCLA, August, 1981.

19. Self-Consistent Electronic Structure of the 4f Metals CeN and CeAl2. W.E. Pickett and B.M. Klein, Workshop on the Electronic Structure of the Actinides, Los Alamos, September, 1981.

1982 20. Muffin-Tin Green's Function Theory of Isolated Substitutional 3d Impurities and Vacancies in Al. W.E. Pickett and B.M. Klein, Bull. Am. Phys. Soc. 27, 154 (1982).

21. Theoretical Studies of Hydrogen Interstitials in AB2 Structure Laves Phase Compounds. B.M. Klein and W.E. Pickett, Bull. Am. Phys. Soc. 27, 224 (1982).

22. Theoretical Study of Optical Absorption and Band Edge Localization in Hydrogenated Amorphous Silicon. D.A. Papaconstantopoulos, W.E. Pickett and E.N. Economou, Bull. Am. Phys. Soc. 27, 269 (1982).

23. Theoretical Studies of Dilute Hydrogen Impurities in Palladium. B.M. Klein and W.E. Pickett, Int. Symp. on the Electronic Structure and Properties of Hydrogen in Metals, Richmond, March, 1982.

24. Theoretical Studies of Hydrogen Interstitials in AB2 Structure Laves Phase Compounds. B.M. Klein and W.E. Pickett, Int. Symp. on the Properties and Applications of Metals Hydrides-II, Toba, Japan, May 30-June 4, 1982.

25. Theory of the Normal State Heat Capacity of Nb3Sn. W.E. Pickett and B.M. Klein, 4th Conf. on Superconductivity in d- and f-Band Metals, Karlsruhe, June, 1982.

26. Correlation Corrections in the Electronic Quasiparticle Spectrum of Covalent Semiconductors. C.S. Wang and W.E. Pickett, Bull. Am. Phys. Soc. 28, 308 (1983).

27. Muffin-Tin Green's Function Studies of Hydrogen Impurities in Palladium and Aluminum. B.M. Klein and W.E. Pickett, Bull. Am. Phys. Soc. 28, 410 (1983).

28. On the On-Site Muffin-Tin Green's Function Approximation for Substitutional Defects in Silicon. W.E. Pickett and B.M. Klein, Bull. Am. Phys. Soc. 28, 288 (1983).

29. Superconductivity in TaN and WN. D.A. Papaconstantopoulos, W.E. Pickett, B.M. Klein and L.L. Boyer, Bull. Am. Phys. Soc. 28, 264 (1983).

30. On the Electronic Structure of CeN and CeAl2. W.E. Pickett and B.M. Klein, 16th Rare Earth Research Conference, Florida State University, April, 1983.

31. Theoretical Studies of Hydrogen in Metals Using the Muffin-Tin Green's Function Method. B.M. Klein and W.E. Pickett, Gordon Conf. on Metal Hydrides: Formation and Properties. New Hampshire, July 1983.

32. Quasiparticle Local Density Approximation for Semiconductors and Insulators. Workshop on Electronic Structure, Cosener's House, Oxfordshire, Oct. 1983.

33. The Energy Band Gaps in Quasiparticle Local Density Theory. C.S. Wang and W.E. Pickett, Bull. Am. Phys. Soc. 29, 350 (1984).

34. Theoretical Lattice Constant of the Predicted High-Tc Compound B1 Structure MoN. B.M. Klein, L.L. Boyer, W.E. Pickett, H. Krakauer and C.S. Wang, Bull. Am. Phys. Soc. 29, 484 (1984).

35. Theoretical Studies of Hydrogen in Metals Using the Muffin-Tin Green's Function Method. B.M. Klein and W.E. Pickett, Int. Symp. on Properties and Applications of Metal Hydrides IV, Elat, Israel, April 1984.

36. Total Energy Calculations for HgCdTe. C.G. Morgan-Pond, R. Raghavan and W.E. Pickett, Bull, Am. Phys. Soc. 29, 304 (1984)

37. Theoretical Lattice Constant of the Predicted High-Tc Superconducting Compound B1 Structure MoN. B.M. Klein, L.L. Boyer, W.E. Pickett, H. Krakauer and C.S. Wang, 4th Gen. CMD Conf. of the Euro. Phys. Soc., The Hague, March 1984.

38. Quasiparticle Local Density Approximation for Insulators and Semiconductors. W.E. Pickett and C.S. Wang, 4th Gen. CMD Conf. of the Euro. Phys. Soc, The Hague, March 1984.

39. Theoretical Studies of Hydrogen in Pd and Al Using the Muffin-Tin Green's Function Method. W.E. Pickett and B.M. Klein, 4th Gen. GMD Conf. of the Euro. Phys. Soc., The Hague, March 1984.

40. Superconductivity in MoN: Effects of Vacancies and Disorder. D.A. Papaconstantopoulos and W.E. Pickett, Bull. Am. Phys. Soc. 30, (1985).

41. Calculation of the Pseudoatom Charge Density and Potential in Silicon. W.E. Pickett, Bull. Am. Phys. Soc. 30, 468 (1985).

42. Electronic Structure of 3C-SiC. L.A. Hemstreet, B.M. Klein, W.E. Pickett, H. Krakauer and C.S. Wang, Bull. Am. Phys. Soc. 30, 225 (1985).

43. Theory of Single Particle Excitations in Zincblende Structure Semiconductors. W.E. Pickett and C.S. Wang, Bull. Am. Phys. Soc. 30, 225 (1985).

44. Theoretical Studies of F-Centers in MgO and CaO Using the Muffin-Tin Green's Function Method. B.M. Klein, W.E. Pickett, L.L. Boyer, R. Zeller and P.H. Dederichs, Bull. Am. Phys. Soc. 30, 320 (1985).

45. Theoretical Study of the Carbon Vacancy in NbC. W.E. Pickett, B.M. Klein and R. Zeller, Bull. Am. Phys. Soc. 30, 620 (1985).

46. Effects of Disorder on the Superconducting Temperature of Cubic MoN. D.A. Papaconstantopoulos and W.E. Pickett, VIII Intl. Conf. on Solid Compounds of Transition Elements, Vienna, April 1985.

47. High Temperature Superconductivity for MoN? A Theoretical Study of the Relative Stability of Hexagonal and Cubic MoN. L.L. Boyer, H. Krakauer, B.M. Klein, W.E. Pickett and C.S. Wang, Conf. on Materials and Mechanisms of Superconductivity, Iowa St. Univ., May 1985.

48. Electronic Structure Study of the Heavy Fermion Superconductor UBe13. W.E. Pickett, H. Krakauer and C.S. Wang, Conf. on Materials and Mechanisms of Superconductivity, Iowa St. Univ., May 1985.

49. Electronic Structure and Mass Enhancement of the Heavy Fermion Superconductor: UPt3. C.S. Wang, H. Krakauer and W.E. Pickett, Conf. on Materials and Mechanisms of Superconductivity, Iowa State Univ., May 1985.

50. First Principles Investigation on the Origin of the Dimerization Energy of Trans-Polyacetylene. J. Ashkenazi, W.E. Pickett, H. Krakauer, C.S. Wang and B.M. Klein, European Physical Society Meeting, Stockholm, March 1986.

51. Theoretical Studies of F-Centers in MgO and CaO Using the Muffin-Tin Green's Function Method. R. Zeller, B.M. Klein and W.E. Pickett and D.A. Papaconstantopoulos, Bull. Am. Phys. Soc. 31, 248 (1986).

53. Calculation of the Pseudoatom Charge Density and Potential in Vanadium. H. Krakauer and W.E. Pickett, Bull. Am. Phys. Soc. 31, 248 (1986).

54. First Principles Calculation of the Dimerization Energy of Trans- Polyacetylene. J. Ashkenasi, W.E. Pickett, C.S. Wang, H. Krakauer and B.M. Klein, Bull. Am. Phys. Soc. 31, 330 (1986).

55. Superconductivity in MoN; Cubic vs. Hexagonal Structure. D.A. Papaconstantopoulos, W.E. Pickett and L.L. Boyer, Bull. Am. Phys. Soc. 31, 337 (1986).

56. The Donor States in Superlattice GaAs/AlAs. J.S. Nelson, C.Y. Fong, B.M. Klein, W.E. Pickett and I.P. Batra, Bull. Am. Phys. Soc. 31, 396 (1986).

57. Unconventional Superconductivity in UPt3. C.S. Wang, H. Krakauer and W.E. Pickett, Bull. Am. Phys. Soc. 31, 553 (1986).

58. Unconventional Superconductivity in UBe13. W.E. Pickett, H. Krakauer and C.S. Wang, Bull. Am. Phys. Soc. 31, 553 (1986).

59. Theory of F-Centers in Alkaline-Earth Oxides. B.M. Klein, W.E. Pickett, L.L. Boyer and R. Zeller, Bull. Am. Phys. Soc. 31, 579 (1986).

60. The Pseudoatom Approach to Understanding Directional Bonding in Silicon. W.E. Pickett, 26th Sanibel Symposium, St. Augustine, March 1986.

61. Charge and Potential Decompositions and the Electron-Phonon Interaction in Silicon. C. Falter, W. Ludwig, M. Selmke and W.E. Pickett, 18th Intl. Conf. on Physics of Semiconductors, Stockholm, August 1986.

62. Theoretical Studies of F-Centers in MgO and CaO Using the Muffin-Tin Green's Function Method. R. Zeller, B.M. Klein and W.E. Pickett, German Phys. Soc., Freudenstadt, FRG, April 1986.

63. First Principles Investigation of the Validity of the Peierls Mechanism for the Dimerization Energy of trans-Polyacetylene. J. Ashkenazi, W.E. Pickett, H. Krakauer, C.S. Wang and B.M. Klein, Conf. on Synthetic Metals, Vadstena, Sweden, August 1986.

64. Electronic Structure and Magnetic Effects at the Ideal (110) Fe-Ge Interface. W.E. Pickett and D.A. Papaconstantopoulos, Conf. on Magnetism and Magnnetic Materials, Baltimore, Nov. 1986.

65. First Principles All-Electron Study of c(2x2) S Chemisorbed on Magnetic Fe(001). S.R. Chubb and W.E. Pickett, Bull. Am. Phys. Soc. 32, 584 (1987).

66. First Principles Determination of Giant Adsorption-Induced Surface Relaxation in p(1x1) O/Fe(001). S.R. Chubb and W.E. Pickett, Bull. Am. Phys. Soc. 32, 596 (1987).

67. Accuracy of the Local Density Approximation for UPt3. C.S. Wang, M.R. Norman, W.E. Pickett, and H. Krakauer, Bull. Am. Phys. Soc. 32, 820 (1987).

68. Electronic Structure and Total Energies for Ionic and Metallic Semiconductors. C.G. Morgan-Pond, R. Raghavan, W.E. Pickett, and F.W. Adams, Bull. Am. Phys. Soc. 32, 861 (1987).

69. Theory of the Electronic Structure of the F Center in LiF. M.R. Pederson, B.M. Klein, and W.E. Pickett, Bull. Am. Phys. Soc. 32, 898 (1987).

70. Electronic structure of Light Substitutional Impurities for Carbon in NbC. W.E. Pickett, B.M. Klein, and R. Zeller, Bull. Am. Phys. Soc. 32, 898 (1987).

71. Total Energy Studies of One- and Three-Dimensional trans-Polyacetylene. J. Ashkenazi, W.E. Pickett, B.M. Klein, H. Krakauer, and C.S. Wang, Bull. Am. Phys. Soc. 32, 929 (1987).

72. Total Energy Studies of Dimerization and Three Dimensionality in Trans-Polyacetylene. J. Ashkenazi, W.E. Pickett, H. Krakauer, C.S. Wang, S.R. Chubb, and B.M. Klein, European Physical Society Mtg., Pisa, March 1987.

73. Predictions of Anisotropic Thermopower in La2-xMxCuO4. P.B. Allen, W.E. Pickett, and H. Krakauer, Conf. on Novel Mechanisms in Superconductivity, Berkeley, June 1987.

74. Character of States near the Fermi Level in YBa2Cu3O7. H. Krakauer and W.E. Pickett, Conf. on Novel Mechanisms in Superconductivity, Berkeley, June 1987.

75. High Temperature Superconductors: Electronic Structure Changes due to Replacement of La with Ba and Sr in Cu-O-based Systems. H. Krakauer, W.E. Pickett, D.A. Papaconstantopoulos, and L.L. Boyer, LT-18 Conf., Kyoto, August, 1987.

76. Calculations of Superconducting Properties of Cu-O Based Perovskite-Like Structures. D.A. Papaconstantopoulos, W.E. Pickett, H. Krakauer, and L.L. Boyer, LT-18 Conf., Kyoto, August, 1987.

77. Application of Ionic Models to the High Temperature Superconductor La2CuO4. R.E. Cohen, W.E. Pickett, H. Krakauer, and L.L. Boyer, Conf. on Electronic Structure of Advanced Ceramics, Argonne, IL, August, 1987.

78. All-Electron Study of c(2x2) Sulfur Chemisorbed Above Magnetic Fe(001). S.R. Chubb and W.E. Pickett, Intl. Conf. on Magnetism and Magnetic Materials, Chicago, IL, November, 1987.

79. Electronic Structure and Total Energy Calculations for Oxide and Halide Perovskites and Oxide Superconductors. R.E. Cohen, W.E. Pickett, M.J. Mehl, D.A. Papaconstantopoulos, L.L. Boyer, and H. Krakauer, Chapman Conf. on Perovskites, Bisbee, AZ, November, 1987.

80. Calculated Anisotropic Transport Properties of Oxide Superconductors in the Normal State from LAPW Band Structures. P.B. Allen, W.E. Pickett, and H. Krakauer, Fall MRS Meeting, Boston, MA, December 1987.

81. Lattice Dynamics and Ionicity in the High Temperature Superconductors. R.E. Cohen, W.E. Pickett, L.L. Boyer, and H. Krakauer, Fall MRS Meeting, Boston, MA, December, 1987.

82. Tight-Binding Studies of the Electronic Structure of the High Temperature Superconducting Materials. D.A. Papaconstantopoulos, M.J. DeWeert, and W.E. Pickett, Fall MRS Meeting, Boston, December, 1987.

83. Electronic Structure of Diamond in Epitaxial Situations. W.E. Pickett and M.J. Mehl, SPIE Conf. on Electronic Imaging Devices and Systems, Los Angeles, CA, January, 1988.

84. Band Structure of Diamond Under Uniaxial Strains. W.E. Pickett and M.J. Mehl, Spring MRS Meeting, Reno, April, 1988.

85. Possibility of Obtaining Indirect-to-Direct Gap Inversion in Strained Diamond. W.E. Pickett and M.J. Mehl, Bull. Am. Phys. Soc. 33, 750 1988.

86. Tight-Binding Hamiltonians for the High-Temperature Superconductors. D.A. Papaconstantopoulos, M.J. DeWeert, and W.E. Pickett, Bull. Am. Phys. Soc. 33, 649 1988.

87. First Principles Studies of Lattice Dynamics in La2CuO4. W. E. Pickett, Ronald E. Cohen, and H. Krakauer, Bull. Am. Phys. Soc. 33, 649 1988.

88. Lattice Dynamics and Ionicity in the High Temperature Superconductors. Ronald E. Cohen, W. E. Pickett, L. L. Boyer, H. Krakauer, Bull. Am. Phys. Soc. 33, 648 1988.

89. Calculated Electronic Structure and Transport Properties of the High Tc Superconductor ErBa2Cu3O7. H. Krakauer, W. E. Pickett, and Ronald E. Cohen, Bull. Am. Phys. Soc. 33, 607 1988.

90. Electronic Structure of bcc Cr-Ru Alloys in the Region of Coexisting Antiferromagnetism and Superconductivity. D.D. Johnson and W.E. Pickett, Bull. Am. Phys. Soc. 33, 529 1988.

91. Electronic Structure of c(2x2) Ba/O Overlayers on W(001). L.A. Hemstreet, S.R. Chubb, and W.E. Pickett, Bull. Am. Phys. Soc. 33, 477 (1988).

92. Band Edge Line-ups at the (110) Diamond/Boron Nitride Interface. W. E. Pickett, 3rd Annual SDIO/IST - ONR Diamond Technology Initiative Symposium, Arlington, July 1988.

93. Theoretical Studies of Strained Diamond: Prospects of Gap Reversal from Indirect to Direct. W. E. Pickett and M. J. Mehl, 3rd Annual SDIO/IST-ONR Diamond Technology Initiative Symposium, Arlington, July 1988.

94. Interplay Between Magnetic Order and Sulfur-Induced Poisoning of an Fe Catalyst. S.R. Chubb and W.E. Pickett, Howard Univ. Symp., Washington, DC, August 1988.

95. Applicability of Conventional Band Theory and the Role of Phonons in High Tc Superconductors. R. E. Cohen, W. E. Pickett, H. Krakauer, D. Singh, D. A. Papaconstantopoulos, and P. B. Allen, Workshop on the Materials Science of High Temperature Superconductors, NBS Gaithersburg, October 1988.

96. Local Density Approximation Study of High Tc Superconductors. H. Krakauer, R. E. Cohen, and W. E. Pickett, Int. Symp. on the Electronic Structure of High Temperature Superconductors, Rome, October 1988.

97. Accurate Tight-Binding Studies of Antiferromagnetic States in La2CuO4. W.E. Pickett and D.A. Papaconstantopoulos, MRS Fall Meeting, Boston, November 1988.

98. Coexisting Antiferromagnetism and Superconductivity: Electronic Structure of CrRu Alloys. D.D. Johnson and W.E. Pickett, MRS Fall Meeting, Boston, November 1988.

99. Tight-Binding Parametrization of the Band Structure of YBa2Cu3O7. M.J. DeWeert, D.A. Papaconstantopoulos, and W.E. Pickett, MRS Fall Meeting, Boston, November 1988.

100. First Principles Calculations of Phonon Frequencies in La2CuO4. R.E. Cohen, W.E. Pickett, and H. Krakauer, MRS Fall Meeting, Boston, November 1988.

101. Electron-Phonon Coupling Strength of La2-xMxCuO4 from First Principles Calculations. H. Krakauer, R.E. Cohen, W.E. Pickett, MRS Fall Meeting, Boston, November 1988.

102. Temperature Dependent Positron-Electron Momentum Densities in YBa2Cu3O7-x by 2D ACAR. E. C. von Stetten, S. Berko, X. S. Li, L. F. Schneemeyer, J. Brynestad, D. Singh, H. Krakauer, W. E. Pickett, and R. E. Cohen, 8th Int. Conf. on Positron Annihilation, Copenhagen, Sept. 1988.

103. Zone-Center Raman Active Modes in Cubic and Hexagonal Diamond. M.J. Mehl and W.E. Pickett, SPIE's OE/LASE '89 Optics, Electro-Optics, & Laser Appl. in Sci. & Eng., Los Angeles, January 1989.

104. First-Principles Study of Phonon Linewidths and Electron-Phonon Coupling Strength in La2CuO4. H. Krakauer, R. E. Cohen, and W. E. Pickett, Bull. Am. Phys. Soc. 34, 910 (1989).

105. Electronic Structure of CaCuO2, Parent of the High Tc Cuprate Superconductors. D. Singh, W. E. Pickett, and H. Krakauer, Bull. Am. Phys. Soc. 34, 425 (1989).

106. Accurate Tight-Binding Studies of Antiferromagnetic States in La2CuO4. W. E. Pickett and D. A. Papaconstantopoulos, Bull. Am. Phys. Soc. 34, 425 (1989).

107. A Local-Density-Based Force Algorithm and a Model for Simulating Growth on the Diamond Surface Using Large Carbon-Hydrogen Clusters. M. R. Pederson, K. A. Jackson, W. E. Pickett, and B. M. Klein, Bull. Am. Phys. Soc. 34, 957 (1989).

108. The Electronic Structure of Disordered YBa2Cu3O7-y. M. J. DeWeert, D. A. Papaconstantopoulos, and W. E. Pickett, Bull. Am. Phys. Soc. 34, 969 (1989)

109. Calculated Electronic Structure of a Monolayer of c(2x2) Ba Adsorbed on W(001). L. A. Hemstreet, S. R. Chubb, and W. E. Pickett, Bull. Am. Phys. Soc. 34, 863 (1989).

110. Local Orbital Electronic Structure Calculations for the Diamond/Nickel Interface. S. C. Erwin and W. E. Pickett, Bull. Am. Phys. Soc. 34, 772 (1989).

111. First Principles Phonon Calculations for La2CuO4. R. E. Cohen, W. E. Pickett, and H. Krakauer, Bull. Am. Phys. Soc. 34, 745 (1989).

112. Theoretical Study of Native and Extrinsic Defects in InP. R. W. Jansen, W. E. Pickett, and B. M. Klein, Bull. Am. Phys. Soc. 34, 551 (1989).

113. First Principles Calculations of Phonon Frequencies and Electron-Phonon Coupling in La2CuO4. R. E. Cohen, H. Krakauer, and W. E. Pickett, Spring MRS Meeting, San Diego, April 1898.

114. Calculation and Comparison of Raman Modes and Electronic Structure of Hexagonal and Cubic Diamond. W. E. Pickett and M. J. Mehl, Spring MRS Meeting, San Diego, April 1898.

115. Electronic Structure of CaCuO2, Parent of the High Tc Superconductors. D. Singh, W. E. Pickett, and H. Krakauer, Intl. Conf. on Materials and Mechanism of Superconductivity/HTSC, Stanford, July 1989.

116. Theoretical Studies of Sr2VO4, a Charge Conjugate Analog of La2CuO4. W. E. Pickett, D. A. Papaconstantopoulos, D. Singh, H. Krakauer, M. Cyrot, and F. Cyrot-Lackmann, Intl. Conf. on Materials and Mechanism of Superconductivity/HTSC, Stanford, July 1989.

117. First Principles Study of Electron-Phonon Coupling Strength and Phonon Linewidths in La2CuO4. H. Krakauer, R. E. Cohen, and W. E. Pickett, Intl. Conf. on Materials and Mechanism of Superconductivity/HTSC, Stanford, July 1989.

118. First Principles Phonon Calculations for High Tc Superconductors. R. E. Cohen, W. E. Pickett, and H. Krakauer, Intl. Conf. on Materials and Mechanism of Superconductivity/HTSC, Stanford, July 1989.

119. Magnetism in Layered Oxides: Results from Spin Density Functional Calculations. D. Singh, W. E. Pickett, R. E. Cohen, D. A. Papaconstantopoulos, and H. Krakauer, Intl. Conf. on Physics of Highly Correlated Electron Systems, Santa Fe, Sept. 1989.

120. Structural and Electronic Properties of Substitutional Defects in Diamond. K. A. Jackson, M. R. Pederson, W. E. Pickett, and J. G. Harrison, Fall 1989 MRS Mtg., Boston, Nov 1989.

121. Adsorption of Hydrocarbon Radicals on the Hydrogenated Diamond Surface. M. R. Pederson, K. A. Jackson, and W. E. Pickett, Fall 1989 MRS Mtg., Boston, Nov. 1989.

122. Static Density Response on Layered Copper Oxides. W. E. Pickett, R. E. Cohen, and H. Krakauer, Symp. on the Naval Consortium for Superconductivity, NWC China Lake, CA, Dec. 1989.

123. Theoretical Studies of Hydrocarbon Clusters. M. R. Pederson, K. A. Jackson, W. E. Pickett, and B. M. Klein, Lake Arrowhead Conference, Los Angeles, Jan 1990.

124. Electronic Structure Studies of Diamond/Metal Interfaces. S. C. Erwin and W. E. Pickett, Spring MRS Meeting, San Francisco, April 1990.

125. Self-Consistent Gradient Corrected Density Functional Calculations for Solids. D. Singh, W. E. Pickett, and H. Krakauer, APS March Meeting, Anaheim, March 1990.

126. Theoretical Electron-Positron Reduced Momentum Densities for YBa2Cu3O7: Fermi Surface and Positron Wavefunction Effects. D. J. Singh, W. E. Pickett, E. C. von Stetton, and S. Berko, APS March Meeting, Anaheim, March 1990.

127. Theoretical Studies of Diamond Chemical Vapor Deposition. M. R. Pederson, K. A. Jackson, and W. E. Pickett, APS March Meeting, Anaheim, March 1990.

128. Non-Local Deformation Potentials and Anharmonicity in YBa2Cu3O7. R. E. Cohen, H. Lu, W. E. Pickett, and H. Krakauer, APS March Meeting, Anaheim, March 1990.

129. Local Orbital Electronic Structure Calculations for Diamond/Metal Interfaces. S. C. Erwin and W. E. Pickett, APS March Meeting, Anaheim, March 1990.

130. Electronic Structure of Substitutional Defects in Diamond. S. C. Erwin and W. E. Pickett, APS March Meeting, Anaheim, March 1990.

131. Diamond/Metal Interfaces: Schottky Barriers and Chemical Bonding. S. C. Erwin and W. E. Pickett, 2nd Intl. Conf. on New Diamond Science and Technology, Washington, DC, Sept. 1990.

132. Theory of the Diamond-Vapor Interface. M. R. Pederson, K. A. Jackson, and W. E. Pickett, 2nd Intl. Conf. on New Diamond Science and Technology, Washington, DC, Sept. 1990.

133. Scottky Barrier Suppression in Diamond/Metal Interfaces. S. C. Erwin and W. E. Pickett, Amer. Phys. Soc. March Mtg., Cincinnati, 1991.

134. Gradient-Corrected Density Functional Studies of CaCuO2. D. J. Singh and W. E. Pickett, Amer. Phys. Soc. March Mtg., Cincinnati, 1991.

135. The Role of Lattice Dynamics in High Tc Cuprates. R. E. Cohen, W. E. Pickett, and H. Krakauer, Amer. Phys. Soc. March Mtg., Cincinnati, 1991.

136. Schottky Barrier Mechanisms in Diamond/Metal Interfaces. S. C. Erwin and W. E. Pickett, Electrochemical Society Diamond Symposium, Washington, DC, May 1991.

137. Schottky Barriers at Diamond-Nickel Interfaces. S. C. Erwin and W. E. Pickett, Diamond Conference, St. Catherine's College, Oxford, July 1991.

138. Large Calculated Electron-Phonon Induced Linewidths of X-Point Phonons in La2-xMxCuO4. H. Krakauer, W. E. Pickett, and R. E. Cohen, Conf. on Lattice Effects in High Tc Superconductors, Santa Fe, January 1992.

139. Evidence for Strong Coupling and Strong Anharmonicity (...in High Tc Cuprates...). R. E. Cohen, W. E. Pickett, D. Papaconstantopoulos, and H. Krakauer, Conf. on Lattice Effects in High Tc Superconductors, Santa Fe, January, 1992.

141. Fermi Surface Nesting and Charge Transport in Layered Copper Oxides. W. E. Pickett, R. E. Cohen, and H. Krakauer, Bull. Amer. Phys. Soc. 37, 745 (1992).

142. Studies of Electron-Lattice Coupling in Fullerides Using an Accurate Tight-Binding Method. D. A. Papaconstantopoulos, W. E. Pickett, M. R. Pederson, and S. C. Erwin, Bull. Amer. Phys. Soc. 37, 455 (1992).

143. Large Calculated Electron-Phonon Induced Linewidths of Phonons in La2-xMxCuO4. H. Krakauer, W. E. Pickett, and R. E. Cohen, Bull. Amer. Phys. Soc. 37, 745 (1992).

144. Theoretical Normal State Transport Properties of K3C60. S. C. Erwin and W. E. Pickett, Bull. Amer. Phys. Soc. 37, 354 (1992).

145. Theoretical Investigation of the Fluorinated and Boron-Doped Diamond Films. M. R. Pederson and W. E. Pickett, Spring MRS Meeting, San Francisco, April 1992.

146. Electronic Properties of K3C60: Generalized Deformation Potentials and Phonon-Limited Transport Properties. W. E. Pickett, D. A. Papaconstantopoulos, M. R. Pederson, and S. C. Erwin, Spring MRS Meeting, San Francisco, April 1992.

147. The Alkali-Intercalated C60 Fullerides: Metallic vs. Insulating Behavior. S. C. Erwin and W. E. Pickett, Fall 1992 MRS Meeting, Boston Dec. 1992.

148. Variational Monte Carlo Study of the Magnetic Electron Gas. W. E. Pickett and J. Q. Broughton, March APS Meeting, Seattle, March 1993.

149. A Tight-Binding Study of Hydrogenated Diamond Surfaces. B. N Davidson and W. E. Pickett, March APS Meeting, Seattle, March 1993.

150. Slater-Koster Study of the Coupling of Unstable Tilts to Electronic Structure in La2-xMxCuO4. R. E. Cohen, W. E. Pickett and H. Krakauer, March APS Meeting, Seattle, March 1993.

151. Frozen Phonon LAPW Search for Instabilities in the Apical Oxygen in YBa2Cu3O7. R. E. Cohen, W. E. Pickett and H. Krakauer, March APS Meeting, Seattle, March 1993.

152. Kapitza Resistance of Mass and Structural Interfaces in Diamond. J. Deppe, J. L. Feldman and W. E. Pickett, March APS Meeting, Pittsburgh, 1994.

153. Electronic Structure and Related Properties of HgBa2Ca2Cu3O8+x. D. J. Singh and W. E. Pickett, March APS Meeting, Pittsburgh, 1994.

154. Coupling Constant Integration Study of Pair Correlations in the Magnetic Electron Gas. W. E. Pickett and J. Q. Broughton, March APS Meeting, Pittsburgh, 1994.

155. Dynamics at a Step on the Diamond (111) Surface. B. N. Davidson and W. E. Pickett, MRS Spring Meeting, San Francisco, April 1994.

156. Evaluations of Tight-Binding Hamiltonians for the Study of High Temperature Superconductors. D. A. Papaconstantopoulos and W. E. Pickett, MMS-HTSC IV (4th Intl. Conf. on Materials and Mechanisms of Superconductivity), Grenoble July 1994.

157. Electronic Structure Studies of Doped and Undoped Hg-Ba-Ca-Cu-O. D. J. Singh and W. E. Pickett, MMS-HTSC IV (4th Intl. Conf. on Materials and Mechanisms of Superconductivity), Grenoble July 1994.

158. Skutterudite Antimonides: Linear Bands and Novel Transport. D. J. Singh and W. E. Pickett, ONR Thermoelectric Materials Workshop, Annapolis, July 1994.

159. Regularities Among the Classes of High Temperature Superconductors: Are There Any? W. E. Pickett, Symposium on Quantum Theory of Real Materials, Berkeley, Aug 1994.

160. Structural Modulations in Bi2Sr2CuO6. Changes in Energy Bands. D. J. Singh and W. E. Pickett, Miami Workshop on High Temperature Superconductivity, January 1995.

161. Unconventional Oxygen Doping Behavior in Hg Cuprates and the Pressure Dependence of Doping. Conference on High Temperature Superconductivity, Miami, January 1995.

162. Steps on the C(100) Diamond Surface. B. N. Davidson and W. E. Pickett, Bull. Am. Phys. Soc. 40, 44 (1995).

163. Intermetallic Borocarbides: Can We Expect Much Higher Tc in This Class? W. E. Pickett and D. J. Singh, Bull. Am. Phys. Soc. 40, 119 (1995).

164. Structural Modifications in Bismuth Cuprates: Strong Effects on Electronic Structure. D. J. Singh and W. E. Pickett, Bull. Am. Phys. Soc. 40, 119 (1995).

165. Superconductivity in Cubic NbN: Are Ordered Vacancies Responsible for Elevated Tc? E. C. Ethridge, S. C. Erwin, and W. E. Pickett, Bull. Am. Phys. Soc. 40, 120 (1995).

166. Electronic Structure and Fermi Surface Properties of Superconducting NbN. E. C. Ethridge, S. C. Erwin, and W. E. Pickett, Bull. Am. Phys. Soc. 40, 120 (1995).

167. Electronic Structure and Fermi Surface Properties of Superconducting NbN. E. C. Ethridge, S. C. Erwin, and W. E. Pickett, 1995 Joint APS-AAPT Meeting, Washington DC, April 1995.

167. Density Functional Studies of CMR and Related Oxides. D. J. Singh and Conf. on Magnetic Materials and Devices, Arlington, May 1995.

168. Intrinsic Negative Electron Affinity Surfaces of Diamond. W. E. Pickett and A. A. Quong, 42nd AVS Conference, Minneapolis, Oct 1995.

169. Electronic, Magnetic, and Structural Coupling in Collosal Magnetoresistive (La,Ca)MnO3 Perovskites. D. S. Singh and W. E. Pickett, 42nd AVS Conference, Minneapolis, October 1995.

170. Computational Theory of the Properties of Thermoelectric Materials. W. E. Pickett, ARPA Workshop on Thermoelectric Materials, Arlington, November 1995.

171. Electronic Structure and Stability of Ordered Vacancy Phases of NbN. E. C. Ethridge, S. C. Erwin, and W. E. Pickett, Fall 1995 MRS Meeting, Boston, December 1995.

172. Electronic Properties of YBa2Cu3O7 Under Uniaxial Stress. W. E. Pickett, Bull. Am. Phys. Soc. 41, xxxx (1996).

173. Density Functional Theories to Predict Both Ground State Properties and Band Structures. G. E. Engel and W. E. Pickett, Bull. Am. Phys. Soc. 41, xxxx (1996).

174. 'The "U" in LDA+U: Its Definition and Evaluation. E. C. Ethridge, W. E. Pickett, and S. C. Erwin, Bull. Am. Phys. Soc. 41, xxxx (1996).

175. Electronic and Vibrational Properties of Binary and Ce-Filled Skutterudites. D. J. Singh, L. Nordstrom, W. E. Pickett, and J. L. Feldman, XV Intl. Conf. on Thermoelectrics, Pasadena, March 1996.

176. Ginzburg-Landau Theory of Single Spin Superconductors. R. E. Rudd and W. E. Pickett, APS March Meeting, Kansas City, March 1997.

177. Lattice Distortions and Transport in CMR Manganites. D. J. Singh and W. E. Pickett, APS March Meeting, Kansas City, March 1997.

178. Local Orbital Basis Evaluation of a Hubbard U Matrix. E. C. Ethridge, S. C. Erwin, and W. E. Pickett, APS March Meeting, Kansas City, March 1997.

179. Computational Search for Half-Metallic Antiferromagnets. W. E. Pickett, APS March Meeting, Kansas City, March 1997.

180. Metal Insulator Transition in a Continuum System and its Description within a Lattice Model. G. E. Engel, R. M. Martin, and W. E. Pickett, APS March Meeting, Kansas City, March 1997.

181. The Josephson Effect in Single Spin Superconductors. R. E. Rudd and W. E. Pickett, Conference on Spectroscopies of Superconductors, Cape Cod MA, September 1997.

182. Lattice Effects in Ferromagnetic Manganite Perovskites. D. J. Singh and W. E. Pickett, MMM/Intermag Conference, San Francisco, January 1998.

183. Thermodynamic Properties of CaV4O9. C. S. Hellberg and W. E. Pickett, MMM/Intermag Conference, San Francisco, January 1998.

184. New Sub-Nanometer Magnetic Structures: Designing Novel Half-Metallic Magnets. W. E. Pickett and R. Rudd, Gordon Conference on Magnetic Nanostructures, Ventura CA, January 1998.

185. Characterization of the Electronic Structure of CaV4O9 Using a Self-Consistent Atomic Deformation Model. L. L. Boyer, H. T. Stokes, M. J. Mehl, and W. E. Pickett, Bull. Am. Phys. Soc. 43, 480 (1998).

186. Single Spin Superconductivity: Bulk and Junction Effects. R. E. Rudd and W. E. Pickett, Bull. Am. Phys. Soc. 43, 654 (1998).

187. Role of Theory and Computation in the Search for New Materials. W. E. Pickett, Bull. Am. Phys. Soc. 43, 780 (1998).

188. The Cu2+ Ion in Low Dimensional Systems: Sr2CuO3. W. E. Pickett, Bull. Am. Phys. Soc. 43, 927 (1998).

189. Thermodynamics of Heisenberg Models for CaV4O9. C. S. Hellberg and W. E. Pickett, Am. Phys. Soc. 43, 963 (1998).

190. Extended Moment Formation and Second Neighbor Coupling in Li2CuO2. R. Weht and W. E. Pickett, Conference on Computational Approach to Electronic Correlations in Solids, Dresden, Germany, May 1998.

191. Structural and Electronic Properties of CrN. A. Filippetti, W. E. Pickett and B. Klein, 10th Annual Workshop on Recent Developments in Electronic Structure Algorithms, June 1988.

192. Electronic structure and magnetic properties of RuSr2GdCu2O8. A. B. Shick, R. Weht, W. E. Pickett, APS March Meeting, Atlanta, March 1999.

Effects of Doping in the Honeycomb Bilayer Superconductors NaxHfNCl. R. Weht, A. Fillippetti, and W. E. Pickett, APS March Meeting, Atlanta, March 1999.

Pseudopotential method applied to magnetism: the cases of CrN and FeN. A. Filippetti and W. E. Pickett, APS March Meeting, Atlanta, March 1999.

Cu-O Hybridization and Oxygen Polarization in One-Dimensional CuO2 Chain Material Li2CuO2. R. Weht and W. E. Pickett, APS March Meeting, Atlanta, March 1999.

193. Spin-flip at CaMnO3 surfaces. A. Filippetti and W. E. Pickett, Workshop on New Methods in Electronic Structure, UIUC, May 1999.

194. Implementation of the LDA+U Method Using the Full Potential Linearized Augmented Plane Wave Basis. A. B. Shick, A. I. Liechtenstein and W. E. Pickett, Workshop on New Methods in Electronic Structure, UIUC, May 1999.

195. Spin-Flip at CaMnO3 196. Electron Correlation Effects at the Gd (0001) Surface. A. B. Shick, W. E. Pickett, and C. S. Fadley, 44th Magn. & Magn. Materials Conference, San Jose, Novenber 1999.

197. Crystal Field Excitations from LDA+U Calculations. A. B. Shick, W. E. Pickett, and A. I. Liechtenstein, Excited State Properties and Response Functions for Materials, Minneapolis, November 2000.

Listing discontinued in 2000.

Warren Pickett