CONFIGURATION INTERACTION CALCULATIONS ON NITROGEN MOLECULE

被引：2966

作者：

LANGHOFF, SR ^{[1
]}

DAVIDSON, ER ^{[1
]}

机构：

[1] UNIV WASHINGTON,CHEM DEPT BG10,SEATTLE,WA 98105

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1974年 / 8卷 / 01期

关键词：

D O I：

10.1002/qua.560080106

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：61 / 72

页数：12

共 11 条

[1] NATURE OF CONFIGURATION-INTERACTION METHOD IN AB-INITIO CALCULATIONS .1. NE GROUND STATE [J].

BARR, TL ;

DAVIDSON, ER .

PHYSICAL REVIEW A, 1970, 1 (03) :644-&

[2] STUDIES IN CONFIGURATION INTERACTION - FIRST-ROW DIATOMIC HYDRIDES [J].

BENDER, CF ;

DAVIDSON, ER .

PHYSICAL REVIEW, 1969, 183 (01) :23-&

[3] SELECTION OF PROPER CANONICAL ROOTHAAN-HARTREE-FOCK ORBITALS FOR PARTICULAR APPLICATIONS .1. THEORY [J].

DAVIDSON, ER .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (05) :1999-&

[4]

GRIMALDI F, 1965, J CHEM PHYS, V43, P559

[5] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .2. [J].

HUZINAGA, S ;

SAKAI, Y .

JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (03) :1371-&

[6] AB-INITIO CALCULATION OF SPIN DIPOLE-DIPOLE PARAMETERS FOR METHYLENE [J].

LANGHOFF, SR ;

DAVIDSON, ER .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1973, 7 (04) :759-777

[7] ATOMIC BETHE-GOLDSTONE EQUATIONS .3. CORRELATION ENERGIES OF GROUND STATES OF BE,B,C,N,O,F, AND NE [J].

NESBET, RK .

PHYSICAL REVIEW, 1968, 175 (01) :2-&

[8] MULTICONFIGURATION WAVEFUNCTIONS FOR WATER MOLECULE [J].

SCHAEFER, HF ;

BENDER, CF .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (04) :1720-+

[9]

SHIK S, 1970, THEOR CHIM ACTA, V18, P277

[10]

SILVER D, IN PRESS

← 1 2 →