THEORETICAL-STUDY OF MOLECULAR IONS SIH5- AND SIH3-

被引：56

作者：

KEIL, F ^{[1
]}

AHLRICHS, R ^{[1
]}

机构：

[1] UNIV KARLSRUHE,INST PHYS CHEM,D-7500 KARLSRUHE,FED REP GER

来源：

CHEMICAL PHYSICS | 1975年 / 8卷 / 03期

关键词：

D O I：

10.1016/0301-0104(75)80148-0

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：384 / 390

页数：7

共 24 条

[1]

AHLRICHS R, 1975, J CHEM PHYS, V62, P1235, DOI 10.1063/1.430638

[2] 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

[3] DIRECT DETERMINATION OF PAIR NATURAL ORBITALS - NEW METHOD TO SOLVE MULTI-CONFIGURATION HARTREE-FOCK PROBLEM FOR 2-ELECTRON WAVE-FUNCTIONS [J].

AHLRICHS, R ;

DRIESSLER, F .

THEORETICA CHIMICA ACTA, 1975, 36 (04) :275-287

[4] INFLUENCE OF ELECTRON CORRELATION ON REACTION ENERGIES - DIMERIZATION ENERGIES OF BH3 AND LIH [J].

AHLRICHS, R .

THEORETICA CHIMICA ACTA, 1974, 35 (01) :59-68

[5]

AHLRICHS R, TO BE PUBLISHED

[6]

DEDIEU A, 1974, JERUSALEM S QUANTUM, V6, P371

[7] APPROXIMATION OF D-TYPE AND F-TYPE ORBITALS BY SPHERICAL GAUSSIAN FUNCTIONS [J].

DRIESSLER, F ;

AHLRICHS, R .

CHEMICAL PHYSICS LETTERS, 1973, 23 (04) :571-574

[8] AB-INITIO CALCULATIONS ON SMALL HYDRIDES INCLUDING ELECTRON CORRELATION [J].

DRIESSLER, F ;

AHLRICHS, R ;

STAEMMLER, V ;

KUTZELNIGG, W .

THEORETICA CHIMICA ACTA, 1973, 30 (04) :315-326

[9] CANONICAL CONFIGURATIONAL INTERACTION PROCEDURE [J].

FOSTER, JM ;

BOYS, SF .

REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :300-302

[10] AB-INITIO SELF-CONSISTENT FIELD CALCULATION OF ENERGIES OF FORMATION OF B2H6 AND B2H7 [J].

HALL, JH ;

MARYNICK, DS ;

LIPSCOMB, WN .

INORGANIC CHEMISTRY, 1972, 11 (12) :3126-&

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