LCAO LOCAL-SPIN-DENSITY AND X-ALPHA CALCULATIONS FOR CR-2 AND MO-2

被引：102

作者：

BAYKARA, NA

MCMASTER, BN

SALAHUB, DR

机构：

来源：

MOLECULAR PHYSICS | 1984年 / 52卷 / 04期

关键词：

D O I：

10.1080/00268978400101641

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：891 / 905

页数：15

相关论文

共 47 条

[1] HARTREE-FOCK EXCHANGE ENERGY OF AN INHOMOGENEOUS ELECTRON-GAS
BECKE, AD
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1983, 23 (06) : 1915 - 1922
[2] 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
[3] ELECTRONIC-STRUCTURE AND VIBRATIONAL FREQUENCY OF CR-2
BONDYBEY, VE
ENGLISH, JH
[J]. CHEMICAL PHYSICS LETTERS, 1983, 94 (05) : 443 - 447
[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] METAL-METAL BONDING IN CR-CR AND MO-MO DIMERS - ANOTHER SUCCESS OF LOCAL SPIN-DENSITY THEORY
DELLEY, B
FREEMAN, AJ
ELLIS, DE
[J]. PHYSICAL REVIEW LETTERS, 1983, 50 (07) : 488 - 491
[6] BINDING-ENERGY AND ELECTRONIC-STRUCTURE OF SMALL COPPER PARTICLES
DELLEY, B
ELLIS, DE
FREEMAN, AJ
BAERENDS, EJ
POST, D
[J]. PHYSICAL REVIEW B, 1983, 27 (04): : 2132 - 2144
[7] DICHROMIUM AND TRICHROMIUM
DILELLA, DP
LIMM, W
LIPSON, RH
MOSKOVITS, M
TAYLOR, KV
[J]. JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (11) : 5263 - 5266
[8] 1ST-ROW DIATOMIC-MOLECULES AND LOCAL DENSITY MODELS
DUNLAP, BI
CONNOLLY, JWD
SABIN, JR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (12) : 4993 - 4999
[9] X-ALPHA, CR-2, AND THE SYMMETRY DILEMMA
DUNLAP, BI
[J]. PHYSICAL REVIEW A, 1983, 27 (04): : 2217 - 2219
[10] ELECTRONIC-SPECTRUM OF THE MO2 MOLECULE OBSERVED AFTER FLASH-PHOTOLYSIS OF MO(CO)6
EFREMOV, YM
SAMOILOVA, AN
KOZHUKHOVSKY, VB
GURVICH, LV
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1978, 73 (03) : 430 - 440

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