AUGMENTED-PLANE-WAVE TO GAUSSIAN-ORBITAL CONVERSION PROCEDURE - ONE-ELECTRON STATES AND COMPTON PROFILES OF FCC NEON

被引:18
作者
RAY, AK
TRICKEY, SB
机构
来源
PHYSICAL REVIEW B | 1981年 / 24卷 / 04期
关键词
D O I
10.1103/PhysRevB.24.1751
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
引用
收藏
页码:1751 / 1760
页数:10
相关论文
共 43 条
  • [31] SELF-CONSISTENT AUGMENTED-PLANE-WAVE METHOD
    RUDGE, WE
    [J]. PHYSICAL REVIEW, 1969, 181 (03): : 1024 - &
  • [32] COHESIVE ENERGY AND PV RELATION FOR FCC NEON IN TWO VARIANTS OF X-ALPHA MODEL
    SABIN, JR
    WORTH, JP
    TRICKEY, SB
    [J]. PHYSICAL REVIEW B, 1975, 11 (10): : 3658 - 3661
  • [33] COMPOSITE WAVE VARIATIONAL METHOD FOR SOLUTION OF ENERGY-BAND PROBLEM IN SOLIDS
    SCHLOSSER, H
    MARCUS, PM
    [J]. PHYSICAL REVIEW, 1963, 131 (06): : 2529 - &
  • [34] SEGALL B, 1968, METHODS COMPUTATIONA, P251
  • [35] Wave functions in a periodic potential
    Slater, JC
    [J]. PHYSICAL REVIEW, 1937, 51 (10): : 0846 - 0851
  • [36] TRICKEY SB, PHYS STATUS SOLIDI
  • [37] TRICKEY SB, 1977, INT J QUANTUM CHEM S, V11, P529
  • [38] BNDPKG - PACKAGE OF PROGRAMS FOR CALCULATION OF ELECTRONIC-ENERGY BANDS BY LCGO METHOD
    WANG, CS
    CALLAWAY, J
    [J]. COMPUTER PHYSICS COMMUNICATIONS, 1978, 14 (5-6) : 327 - 365
  • [39] WANG CS, 1978, COMPUT PHYS COMMUN, V14, P330
  • [40] WANG CS, 1978, COMPUT PHYS COMMUN, V14, P332