LOCAL DENSITY PSEUDOPOTENTIAL CALCULATIONS FOR MOLECULES - O2 AND MO2O2S2(S2)2(2-)

被引：24

作者：

BERNHOLC, J

HOLZWARTH, NAW

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1984年 / 81卷 / 09期

关键词：

D O I：

10.1063/1.448139

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：

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页码：3987 / 3995

页数：9

相关论文

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[1] BAERENDS EJ, 1978, INT J QUANTUM CHEM, V12, P169
[2] BECKE AD, 1982, J CHEM PHYS, V76, P6032
[3] LOCAL SPIN-DENSITY DESCRIPTION OF MULTIPLE METAL-METAL BONDING - MO2 AND CR-2
BERNHOLC, J
HOLZWARTH, NAW
[J]. PHYSICAL REVIEW LETTERS, 1983, 50 (19) : 1451 - 1454
[4] BERNHOLC J, UNPUB INORG CHEM
[5] GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD
CEPERLEY, DM
ALDER, BJ
[J]. PHYSICAL REVIEW LETTERS, 1980, 45 (07) : 566 - 569
[6] CHRISTIANSEN PA, 1979, J CHEM PHYS, V71, P445
[7] CLEGG W, 1980, INORG CHEM, V19, P2069
[8] 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
[9] 1ST-ROW DIATOMIC-MOLECULES AND LOCAL DENSITY MODELS
DUNLAP, BI
CONNOLLY, JWD
SABIN, JR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (12) : 4993 - 4999
[10] SOME APPROXIMATIONS IN APPLICATIONS OF X-ALPHA THEORY
DUNLAP, BI
CONNOLLY, JWD
SABIN, JR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (08) : 3396 - 3402

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