GROUND-STATE AND EXCITED-STATE PROPERTIES OF LIF IN LOCAL-DENSITY FORMALISM

被引:173
作者
ZUNGER, A
FREEMAN, AJ
机构
[1] NORTHWESTERN UNIV, DEPT PHYS, EVANSTON, IL 60201 USA
[2] NORTHWESTERN UNIV, MAT RES LAB, EVANSTON, IL 60201 USA
来源
PHYSICAL REVIEW B | 1977年 / 16卷 / 06期
关键词
D O I
10.1103/PhysRevB.16.2901
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
引用
收藏
页码:2901 / 2926
页数:26
相关论文
共 125 条
[1]   INTERATOMIC INTERACTIONS IN ALKALI HALIDES [J].
ABARENKO.IV ;
ANTONOVA, IM .
PHYSICA STATUS SOLIDI, 1970, 38 (02) :783-&
[2]   X-RAY SCATTERING FACTORS FOR IONIC CRYSTALS WITH COMPLETE ELECTRON SHELLS .1. THEORY [J].
AIKALA, O ;
MANSIKKA, K .
PHYSIK DER KONDENSITERTEN MATERIE, 1970, 11 (03) :243-+
[3]   X-RAY SCATTERING FACTORS FOR IONIC-CRYSTALS WITH COMPLETE ELECTRON SHELLS .3. EFFECT OF RADIAL DEFORMATION [J].
AIKALA, O ;
MANSIKKA, K .
PHYSIK DER KONDENSITERTEN MATERIE, 1972, 14 (02) :105-+
[4]  
AIKALA O, 1971, PHYS KONDENS MATER, V13, P58
[5]   EXCITONS IN LARGE-GAP INSULATORS - SOLID ARGON [J].
ANDREONI, W ;
ALTARELLI, M ;
BASSANI, F .
PHYSICAL REVIEW B, 1975, 11 (06) :2352-2363
[6]  
[Anonymous], Z PHYS CHEM FRANKFUR
[7]   RADIATIVE DECAY OF CORE EXCITONS IN ALKALI-HALIDES [J].
ARAKAWA, ET ;
WILLIAMS, MW .
PHYSICAL REVIEW LETTERS, 1976, 36 (06) :333-336
[8]   CALCULATION OF COHESIVE ENERGIES AND BULK PROPERTIES OF ALKALI-METALS [J].
AVERILL, FW .
PHYSICAL REVIEW B, 1972, 6 (10) :3637-&
[9]   MOLECULAR CHARGE DISTRIBUTIONS AND CHEMICAL BINDING .3. ISOELECTRONIC SERIES N2 CO BF AND C2 BEO LIF [J].
BADER, RFW ;
BANDRAUK, AD .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (04) :1653-&
[10]   Self-consistent molecular Hartree-Fock-Slater calculations - II. The effect of exchange scaling in some small molecules [J].
Baerends, E. J. ;
Ros, P. .
CHEMICAL PHYSICS, 1973, 2 (01) :52-59