THEORETICAL CALCULATION OF EXCITED-STATES OF AR2 DIMER

被引：34

作者：

SPIEGELMANN, F

MALRIEU, JP

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1978年 / 57卷 / 02期

关键词：

D O I：

10.1016/0009-2614(78)80437-0

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：214 / 219

页数：6

共 19 条

[1]

ALRICHS R, 1977, CHEM PHYS, V19, P119

[2]

CLAVERIE P, 1969, INT J QUANTUM CHEM, V1, P767

[3] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .2. WAVEFUNCTIONS FOR NH3+HCL-]NH4CL REACTION [J].

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (10) :3851-&

[4] PERTURBATIVE AB-INITIO CALCULATIONS OF INTERMOLECULAR ENERGIES .1. METHOD [J].

DAUDEY, JP ;

CLAVERIE, P ;

MALRIEU, JP .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (01) :1-15

[5] THEORETICAL METHOD TO DETERMINE ATOMIC PSEUDOPOTENTIALS FOR ELECTRONIC-STRUCTURE CALCULATIONS OF MOLECULES AND SOLIDS [J].

DURAND, P ;

BARTHELAT, JC .

THEORETICA CHIMICA ACTA, 1975, 38 (04) :283-302

[6]

DURAND P, 1977, MOL PHYS, V33, P159

[7]

GALY J, 1973, THESIS TOULOUSE

[8]

GILLEN K, 1975, 9 INT C PHYS EL AT C

[9] ITERATIVE PERTURBATION CALCULATIONS OF GROUND AND EXCITED-STATE ENERGIES FROM MULTICONFIGURATIONAL ZEROTH-ORDER WAVEFUNCTIONS [J].

HURON, B ;

MALRIEU, JP ;

RANCUREL, P .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (12) :5745-5759

[10]

LEROY RJ, 1972, J CHEM PHYS, V57, P573

← 1 2 →