ABINITIO CLUSTER CALCULATIONS FOR DEFECTS IN THE SOLID-STATE

被引：0
作者：
COLBOURN, EA
KENDRICK, J
机构：
来源：
LECTURE NOTES IN PHYSICS | 1982年 / 166卷
关键词：
D O I：
暂无
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
引用
收藏
页码：67 / 81
页数：15
相关论文
共 40 条
[1]  
[Anonymous], [No title captured]
[2]   WIDTH OF D-LEVEL FINAL-STATE STRUCTURE OBSERVED IN PHOTOEMISSION SPECTRA OF FEXO [J].
BAGUS, PS ;
BRUNDLE, CR ;
CHUANG, TJ ;
WANDELT, K .
PHYSICAL REVIEW LETTERS, 1977, 39 (19) :1229-1232
[3]   MOLECULAR-ORBITAL CLUSTER-MODEL STUDY OF THE CORE-LEVEL SPECTRUM OF CO ADSORBED ON COPPER [J].
BAGUS, PS ;
SEEL, M .
PHYSICAL REVIEW B, 1981, 23 (05) :2065-2075
[4]   THE CONVERGENCE OF THE ENERGY CLUSTER-EXPANSION IN LINCL(N-1)+ [J].
BOUNDS, DG ;
HINCHLIFFE, A .
MOLECULAR PHYSICS, 1980, 40 (04) :989-996
[5]  
COLBOURN EA, UNPUB
[6]   GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].
DUNNING, TH .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2823-+
[7]  
DUNNING TH, 1977, METHODS ELECTRONIC S
[8]   METHODS FOR CONVERGING OPEN-SHELL HARTREE-FOCK WAVE-FUNCTIONS [J].
GUEST, MF ;
SAUNDERS, VR .
MOLECULAR PHYSICS, 1974, 28 (03) :819-828
[9]   SEMIEMPIRICAL MOLECULAR-ORBITAL TREATMENT OF U BAND IN LIF-H- [J].
HAYNS, MR .
PHYSICAL REVIEW B-SOLID STATE, 1972, 5 (02) :697-+
[10]   ELECTRON-PARAMAGNETIC-RES AND ABINITIO SCF-MO STUDIES OF THE SI-H-SI SYSTEM IN THE E'4 CENTER OF ALPHA-QUARTZ [J].
ISOYA, J ;
WEIL, JA ;
HALLIBURTON, LE .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (10) :5436-5448
1234