NATURAL STATES OF INTERACTING SYSTEMS AND THEIR USE FOR CALCULATION OF INTER-MOLECULAR FORCES .2. NATURAL STATES IN ASYMPTOTIC 1-R EXPANSION

被引：16

作者：

MAEDER, F ^{[1
]}

KUTZELNIGG, W ^{[1
]}

机构：

[1] RUHR UNIV BOCHUM,LEHRSTUHL THEORET CHEM,D-4630 BOCHUM,FED REP GER

来源：

CHEMICAL PHYSICS | 1978年 / 32卷 / 03期

关键词：

D O I：

10.1016/0301-0104(78)85027-7

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：457 / 469

页数：13

共 22 条

[1] PNO-CI (PAIR NATURAL ORBITAL CONFIGURATION INTERACTION) AND CEPA-PNO (COUPLED ELECTRON PAIR APPROXIMATION WITH PAIR NATURAL ORBITALS) CALCULATIONS OF MOLECULAR SYSTEMS .1. OUTLINE OF METHOD FOR CLOSED-SHELL STATES [J].

AHLRICHS, R ;

LISCHKA, H ;

STAEMMLER, V ;

KUTZELNIGG, W .

JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (04) :1225-1234

[2] ON SOLUTION OF QUANTUM MECHANICAL 2-ELECTRON PROBLEM BY DIRECT CALCULATION OF NATURAL ORBITALS .3. REFINED TREATMENT OF HELIUM-ATOM AND HELIUM-LIKE IONS [J].

AHLRICHS, R ;

KUTZELNI.W ;

BINGEL, WA .

THEORETICA CHIMICA ACTA, 1966, 5 (04) :289-&

[3]

AHLRICHS R, 1976, THEORET CHIM ACTA, V41, P6

[4] CALCULATION OF DISPERSION ENERGIES BY VARIATION METHOD [J].

BRIGGS, MP ;

MURRELL, JN ;

STAMPER, JG .

MOLECULAR PHYSICS, 1969, 17 (04) :381-&

[5]

Hasse HR, 1931, P CAMB PHILOS SOC, V27, P66

[6]

Hirschfelder J. O., 1964, MOL THEORY GASES LIQ, V165

[7]

HIRSCHFELDER JO, 1959, MOL PHYS, V2, P221

[8]

HIRSCHFELDER JO, 1966, MOL PHYS, V9, P491

[9] NATURAL STATES OF INTERACTING SYSTEMS AND THEIR USE FOR CALCULATION OF INTER-MOLECULAR FORCES .1. GENERAL THEORY OF NATURAL STATES OF INTERACTING SYSTEMS [J].

KUTZELNIGG, W ;

MAEDER, F .

CHEMICAL PHYSICS, 1978, 32 (03) :451-455

[10] QUANTUM CHEMICAL CALCULATION OF INTERMOLECULAR INTERACTION POTENTIALS, MAINLY OF VANDERWAALS TYPE [J].

KUTZELNIGG, W .

FARADAY DISCUSSIONS, 1977, 62 :185-196

← 1 2 3 →