APPROXIMATION OF D-TYPE AND F-TYPE ORBITALS BY SPHERICAL GAUSSIAN FUNCTIONS

被引：76

作者：

DRIESSLER, F ^{[1
]}

AHLRICHS, R ^{[1
]}

机构：

[1] INST PHYS CHEM & ELEKTROCHEM, ABT THEORET CHEM, 75 KARLSRUHE, WEST GERMANY

来源：

CHEMICAL PHYSICS LETTERS | 1973年 / 23卷 / 04期

关键词：

D O I：

10.1016/0009-2614(73)89031-1

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：571 / 574

页数：4

共 14 条

[1] ELECTRONIC WAVE FUNCTIONS .1. A GENERAL METHOD OF CALCULATION FOR THE STATIONARY STATES OF ANY MOLECULAR SYSTEM [J].

BOYS, SF .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1950, 200 (1063) :542-554

[2] ELECTRONIC WAVE FUNCTIONS FOR ATOMS .4. GROUND STATE OF NE [J].

BUNGE, CF ;

PEIXOTO, EMA .

PHYSICAL REVIEW A, 1970, 1 (05) :1277-&

[3]

Clementi E, 1967, J COMPUT PHYS, V2, P223

[4]

GERLOFF M, TO BE PUBLISHED

[5] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].

HUZINAGA, S .

JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&

[6] PNO-CI STUDIES OF ELECTRON CORRELATION EFFECTS .1. CONFIGURATION EXPANSION BY MEANS OF NONORTHOGONAL ORBITALS, AND APPLICATION TO GROUND-STATE AND IONIZED STATES OF METHANE [J].

MEYER, W .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (03) :1017-1035

[7] GAUSSIAN WAVEFUNCTIONS FOR 10-ELECTRON SYSTEMS .3. OH-,H2O,H3O+ [J].

MOSKOWITZ, JW ;

HARRISON, MC .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10P1) :3550-+

[8] 5 EQUIVALENT D-ORBITALS [J].

PAULING, L ;

MCCLURE, V .

JOURNAL OF CHEMICAL EDUCATION, 1970, 47 (01) :15-&

[9] TEXTBOOK ERRORS 81 - 5 EQUIVALENT D ORBITALS [J].

POWELL, RE .

JOURNAL OF CHEMICAL EDUCATION, 1968, 45 (01) :45-&

[10]

PREUSS H, 1956, Z NATURFORSCH PT A, V11, P823

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