EFFICIENT SOLUTION OF POISSON EQUATION IN LINEAR COMBINATION OF ATOMIC ORBITALS (LCAO) ELECTRONIC-STRUCTURE CALCULATIONS

被引：19

作者：

FEIBELMAN, PJ

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1984年 / 81卷 / 12期

关键词：

D O I：

10.1063/1.447587

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

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页码：5864 / 5872

页数：9

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共 27 条

[1] ELECTRONIC-STRUCTURE OF CU(111) SURFACE
APPELBAUM, JA
HAMANN, DR
[J]. SOLID STATE COMMUNICATIONS, 1978, 27 (09) : 881 - 883
[2] PSEUDOPOTENTIALS THAT WORK - FROM H TO PU
BACHELET, GB
HAMANN, DR
SCHLUTER, M
[J]. PHYSICAL REVIEW B, 1982, 26 (08): : 4199 - 4228
[3] Brigham E. O., 1974, FAST FOURIER TRANSFO
[4] GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD
CEPERLEY, DM
ALDER, BJ
[J]. PHYSICAL REVIEW LETTERS, 1980, 45 (07) : 566 - 569
[5] EFFICIENT AND ACCURATE EXPANSION METHODS FOR MOLECULES IN LOCAL DENSITY MODELS
DELLEY, B
ELLIS, DE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (04) : 1949 - 1960
[6] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
DITCHFIELD, R
HEHRE, WJ
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) : 724 - +
[7] 1ST-ROW DIATOMIC-MOLECULES AND LOCAL DENSITY MODELS
DUNLAP, BI
CONNOLLY, JWD
SABIN, JR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (12) : 4993 - 4999
[8] SOME APPROXIMATIONS IN APPLICATIONS OF X-ALPHA THEORY
DUNLAP, BI
CONNOLLY, JWD
SABIN, JR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (08) : 3396 - 3402
[9] ELECTRONIC-STRUCTURE OF A TI(0001) FILM
FEIBELMAN, PJ
APPELBAUM, JA
HAMANN, DR
[J]. PHYSICAL REVIEW B, 1979, 20 (04): : 1433 - 1443
[10] GAY JG, 1980, PHYS REV B, V21, P2201