ELECTRON CORRELATION AND DENSITY-FUNCTIONAL METHODS

被引：58

作者：

COOK, M ^{[1
]}

KARPLUS, M ^{[1
]}

机构：

[1] HARVARD UNIV, DEPT CHEM, CAMBRIDGE, MA 02138 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1987年 / 91卷 / 01期

关键词：

D O I：

10.1021/j100285a010

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

收藏

页码：31 / 37

页数：7

相关论文

共 61 条

[1] SINGLET-TRIPLET SPLITTINGS AS OBTAINED FROM X-ALPHA-SCATTERED WAVE METHOD - THEORETICAL-ANALYSIS
BAGUS, PS
BENNETT, BI
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1975, 9 (01) : 143 - 148
[2] MULTISTRUCTURE VALENCE-BOND AND ATOMS-IN-MOLECULES CALCULATIONS FOR LIF F2 AND F2-
BALINTKURTI, GG
KARPLUS, M
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (01) : 478 - +
[3] LCAO LOCAL-SPIN-DENSITY AND X-ALPHA CALCULATIONS FOR CR-2 AND MO-2
BAYKARA, NA
MCMASTER, BN
SALAHUB, DR
[J]. MOLECULAR PHYSICS, 1984, 52 (04) : 891 - 905
[4] NUMERICAL HARTREE-FOCK-SLATER CALCULATIONS ON DIATOMIC-MOLECULES
BECKE, AD
[J]. JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (12) : 6037 - 6045
[5] ELECTRONIC-STRUCTURE CALCULATIONS USING THE X-ALPHA METHOD
CASE, DA
[J]. ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1982, 33 : 151 - 171
[6] CELOTTA RJ, 1977, 10TH IPEAC C
[7] CONDON EU, 1935, THEORY ATOMIC SPECTR, P174
[8] CONNOLLY JWD, 1977, MODERN THEORETICAL A, V7, P105
[9] THE CALCULATION OF 2-ELECTRON PROPERTIES FROM MULTIPLE-SCATTERING X-ALPHA WAVEFUNCTIONS
COOK, M
KARPLUS, M
[J]. CHEMICAL PHYSICS LETTERS, 1981, 84 (03) : 565 - 570
[10] COOK M, 1981, THESIS HARVARD U

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