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
[1]   HOUSTON METHOD AND ITS APPLICATION TO THE CALCULATION OF CHARACTERISTIC TEMPERATURES OF CUBIC CRYSTALS [J].
BETTS, DD ;
BHATIA, AB ;
WYMAN, M .
PHYSICAL REVIEW, 1956, 104 (01) :37-42
[2]  
CALLAWAY J, COMMUNICATION
[3]  
CONNOLLY JWD, 1970, MIT72 SEM ANN PROGR, P26
[4]  
CONNOLLY JWD, 1977, MODERN THEORETICAL A, V7, P105
[5]   HARTREE-FOCK BAND-STRUCTURE AND OPTICAL GAP IN SOLID NEON AND ARGON [J].
DAGENS, L ;
PERROT, F .
PHYSICAL REVIEW B, 1972, 5 (02) :641-&
[6]   SELF-CONSISTENT ENERGY BANDS AND COHESIVE ENERGY OF POTASSIUM CHLORIDE [J].
DECICCO, PD .
PHYSICAL REVIEW, 1967, 153 (03) :931-&
[7]  
DUNLAP BI, 1979, J CHEM PHYS, V71, P3316
[8]   Discrete variational method for the energy-band problem with general crystal potentials [J].
Ellis, D. E. ;
Painter, G. S. .
PHYSICAL REVIEW B-SOLID STATE, 1970, 2 (08) :2887-2898
[9]   EFFECT OF NON-MUFFIN-TIN TERMS ON ELECTRONIC-STRUCTURE OF TRANSITION-METALS - NIOBIUM [J].
ELYASHAR, N ;
KOELLING, DD .
PHYSICAL REVIEW B, 1976, 13 (12) :5362-5372
[10]   SELF-CONSISTENT RELATIVISTIC APW CALCULATION OF ELECTRONIC-STRUCTURE OF NIOBIUM WITH A NON-MUFFIN-TIN POTENTIAL [J].
ELYASHAR, N ;
KOELLING, DD .
PHYSICAL REVIEW B, 1977, 15 (08) :3620-3632