METHODS OF EMBEDDING FOR DEFECT AND SURFACE PROBLEMS

被引:16
作者
FISHER, AJ [1 ]
机构
[1] HARWELL LAB,DIV THEORET PHYS,DIDCOT OX11 0RA,OXON,ENGLAND
来源
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS | 1988年 / 21卷 / 17期
关键词
D O I
10.1088/0022-3719/21/17/013
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
引用
收藏
页码:3229 / 3249
页数:21
相关论文
共 18 条
[1]   RECURSION, NONORTHOGONAL BASIS VECTORS, AND THE COMPUTATION OF ELECTRONIC-PROPERTIES [J].
BALLENTINE, LE ;
KOLAR, M .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1986, 19 (07) :981-993
[2]   THE LCAO APPROACH TO THE EMBEDDING PROBLEM [J].
BARAFF, GA ;
SCHLUTER, M .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1986, 19 (22) :4383-4391
[3]   A COMPARISON OF TECHNIQUES FOR EMBEDDING DEFECT CLUSTER CALCULATIONS [J].
FISHER, AJ .
THEORETICA CHIMICA ACTA, 1987, 72 (04) :319-324
[4]   THE RECURSION METHOD AND EXPECTATION VALUES [J].
FOULKES, M ;
HAYDOCK, R .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1986, 19 (33) :6573-6587
[5]  
HAYDOCK R, 1980, SOLID STATE PHYS, V35, P215
[6]   ELECTRONIC-STRUCTURE OF INTERSTITIAL H IN CU [J].
INGLESFIELD, JE .
JOURNAL OF PHYSICS F-METAL PHYSICS, 1981, 11 (12) :L287-L291
[7]   AN IMPROVED PERIPHERAL ORBITAL METHOD FOR CALCULATING THE ELECTRONIC-STRUCTURE OF COMPLEX-SYSTEMS WITH A LOCALIZED BASIS [J].
LODGE, KW .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1986, 19 (02) :151-160
[8]   CALCULATED OPTICAL AND PHOTOEMISSION PROPERTIES OF GESE2 [J].
LOUIE, SG .
PHYSICAL REVIEW B, 1982, 26 (10) :5993-5995
[9]   NEW LOCALIZED-ORBITAL METHOD FOR CALCULATING THE ELECTRONIC-STRUCTURE OF MOLECULES AND SOLIDS - COVALENT SEMICONDUCTORS [J].
LOUIE, SG .
PHYSICAL REVIEW B, 1980, 22 (04) :1933-1945
[10]  
LOWDIN PO, 1951, J CHEM PHYS, V19, P1396