DIRECT DETERMINATION OF PSEUDONATURAL ORBITALS

被引：1

作者：

PALTING, P ^{[1
]}

机构：

[1] UNIV ALBERTA,DEPT CHEM,EDMONTON,ALBERTA,CANADA

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1973年 / 7卷 / 04期

关键词：

D O I：

10.1002/qua.560070409

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：717 / 723

页数：7

共 14 条

[1] ORBITAL SELF-CONSISTENT-FIELD THEORY .3. HAMILTONIAN FOR NATURAL ORBITALS OF MULTICONFIGURATIONAL WAVE FUNCTIONS [J].

ADAMS, WH .

PHYSICAL REVIEW, 1969, 183 (01) :37-&

[2] ELECTRONIC WAVE FUNCTIONS FOR ATOMS .I. GROUND STATE OF BE [J].

BUNGE, CF .

PHYSICAL REVIEW, 1968, 168 (01) :92-&

[3] CONFIGURATION-INTERACTION CALCULATION OF H3 AND H2 [J].

EDMISTON, C ;

KRAUSS, M .

JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (03) :1119-&

[4] PSEUDONATURAL ORBITALS AS A BASIS FOR SUPERPOSITION OF CONFIGURATIONS .I. HE2+ [J].

EDMISTON, C ;

KRAUSS, M .

JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (05) :1833-&

[5]

Fock V., 1940, ZH EKSP TEOR FIZ, V10, P723

[6] THEORY OF SEPARABILITY OF MANY-ELECTRON SYSTEMS [J].

HUZINAGA, S ;

CANTU, AA .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (12) :5543-&

[7] DIRECT DETERMINATION OF NATURAL ORBITALS + NATURAL EXPANSION COEFFICIENTS OF MANY-ELECTRON WAVEFUNCTIONS .1. NATURAL ORBITALS IN GEMINAL PRODUCT APPROXIMATION [J].

KUTZELNIGG, W .

JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (12) :3640-&

[8] RESOLUTION DU PROBLEME A DEUX ELECTRONS EN MECANIQUE QUANTIQUE PAR DETERMINATION DIRECTE DES ORBITALES NATURELLES .2. APPLICATION AUX ETATS FONDAMENTAUX DE LHELIUM ET DES IONS ISOELECTRONIQUES [J].

KUTZELNIGG, W .

THEORETICA CHIMICA ACTA, 1963, 1 (04) :343-352

[9]

MCLEAN AD, 1967, IBM J RES DEVEL, V6

[10] ELECTRON CORRELATION AND SEPARATED-PAIR APPROXIMATION . AN APPLICATION TO BERYLLIUMLIKE ATOMIC SYSTEMS [J].

MILLER, KJ ;

RUEDENBERG, K .

JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (08) :3414-+

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