MANY-BODY PERTURBATION-THEORY APPLIED TO MOLECULES - ANALYSIS AND CORRELATION ENERGY CALCULATION FOR LI-2, N-2, AND H-3

被引：52

作者：

FREEMEN, DL ^{[1
]}

KARPLUS, M ^{[1
]}

机构：

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

来源：

JOURNAL OF CHEMICAL PHYSICS | 1976年 / 64卷 / 06期

关键词：

D O I：

10.1063/1.432518

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

页码：2641 / 2659

页数：19

共 46 条

[1] MANY-BODY PERTURBATION-THEORY APPLIED TO ELECTRON PAIR CORRELATION ENERGIES .1. CLOSED-SHELL FIRST-ROW DIATOMIC HYDRIDES [J].

BARTLETT, RJ ;

SILVER, DM .

JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (08) :3258-3268

[2] PAIR-CORRELATION ENERGIES IN SODIUM HYDRIDE WITH MANY-BODY PERTURBATION-THEORY [J].

BARTLETT, RJ ;

SILVER, DM .

PHYSICAL REVIEW A, 1974, 10 (06) :1927-1931

[3] SINGLE PARTICLE ENERGIES IN THE THEORY OF NUCLEAR MATTER [J].

BRUECKNER, KA ;

GOLDMAN, DT .

PHYSICAL REVIEW, 1960, 117 (01) :207-213

[4] ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .3. A HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR N2(X1SIGMAG+) AND N2+(X2SIGMAG+A 2PIU B2SIGMAU+) MOLECULAR IONS [J].

CADE, PE ;

SALES, KD ;

WAHL, AC .

JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (05) :1973-&

[5]

CIZEK J, 1966, J CHEM PHYS, V45, P4256

[6] EXTENDED HARTREE-FOCK WAVENFUNCTIONS - OPTIMIZED VALENCE CONFIGURATIONS FOR H2 AND LI2 OPTIMIZED DOUBLE CONFIGURATIONS FOR F2 [J].

DAS, G ;

WAHL, AC .

JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (01) :87-&

[7] MANY-BODY GREENS FUNCTIONS FOR FINITE, NONUNIFORM SYSTEMS - APPLICATIONS TO CLOSED SHELL ATOMS [J].

DOLL, JD ;

REINHARD.WP .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (03) :1169-&

[8]

DOLL JD, 1971, THESIS HARVARD U

[9] MANY-BODY PERTURBATION CALCULATION OF INDIRECT SPIN-SPIN COUPLING CONSTANT IN HD MOLECULE [J].

DUTTA, CM ;

DUTTA, NC ;

DAS, TP .

PHYSICAL REVIEW LETTERS, 1970, 25 (25) :1695-&

[10] CORRELATION ENERGY CONTRIBUTION TO AMMONIA INVERSION BARRIER [J].

DUTTA, NC ;

KARPLUS, M .

CHEMICAL PHYSICS LETTERS, 1975, 31 (03) :455-461

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