PARTITIONING OF HAMILTONIANS + MOLECULAR ENERGIES

被引：18

作者：

RICHARDSON, JW

PACK, AK

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1964年 / 41卷 / 03期

关键词：

D O I：

10.1063/1.1725982

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：897 / &

共 11 条

[1] ANALYTICAL SELF-CONSISTENT FIELD FUNCTIONS FOR POSITIVE IONS .1. ISOELECTRONIC SERIES WITH 2 TO 10 ELECTRONS [J].

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (04) :996-&

[2] The energy and screening constants of the hydrogen molecule. [J].

Coulson, CA ;

Lennard-Jones, JE .

TRANSACTIONS OF THE FARADAY SOCIETY, 1937, 33 (02) :1479-1491

[3] STUDIES IN MOLECULAR STRUCTURE .6. POTENTIAL CURVE FOR INTERACTION OF 2 HYDROGEN ATOMS IN LCAO MO SCF APPROXIMATION [J].

FRAGA, S ;

RANSIL, BJ .

JOURNAL OF CHEMICAL PHYSICS, 1961, 35 (06) :1967-&

[4] APPROXIMATE CALCULATION OF EIGENFUNCTIONS [J].

GRAY, BF .

JOURNAL OF CHEMICAL PHYSICS, 1958, 29 (06) :1246-1247

[5] Wave-Mechanical Treatment of the Li-2 Molecule [J].

James, Hubert M. .

JOURNAL OF CHEMICAL PHYSICS, 1934, 2 (11)

[6] ELECTRONIC STRUCTURE OF LIH AND QUADRUPOLE MOMENT OF LI7 [J].

KAHALAS, SL ;

NESBET, RK .

JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (03) :529-&

[7] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1. [J].

MULLIKEN, RS .

JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (10) :1833-1840

[8] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .2. OVERLAP POPULATIONS, BOND ORDERS, AND COVALENT BOND ENERGIES [J].

MULLIKEN, RS .

JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (10) :1841-1846

[9] THEOREM GOVERNING CHANGES IN MOLECULAR CONFORMATION [J].

PARR, RG .

JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (12) :3726-&

[10] PREDICTION OF INTERATOMIC DISTANCES AND FORCE CONSTANTS IN DIATOMIC HYDRIDES [J].

PLATT, JR .

JOURNAL OF CHEMICAL PHYSICS, 1950, 18 (07) :932-935

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