ABINITIO MRD-CI STUDY OF NO2. .1. MULTI-DIMENSIONAL POTENTIAL SURFACES FOR THE 2 LOWEST 2A' STATES

被引：62

作者：

HIRSCH, G

BUENKER, RJ

机构：

来源：

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE | 1985年 / 63卷 / 07期

关键词：

D O I：

10.1139/v85-262

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：1542 / 1549

页数：8

共 29 条

[1] MICROWAVE SPECTRUM OF NO2 - FINE STRUCTURE + MAGNETIC COUPLING [J].

BIRD, GR ;

RASTRUPANDERSEN, J ;

BRANSFORD, JW ;

CURL, RF ;

KUNKLE, AC ;

HODGESON, JA ;

JACHE, AW ;

BAIRD, JC ;

ROSENTHAL, J .

JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (11) :3378-&

[2] RESONANCE FLUORESCENCE INTENSITIES AND VIBRATIONAL ASSIGNMENTS IN THE A2B2 STATE OF NO2 [J].

BRAND, JCD ;

CROSS, KJ ;

HOY, AR .

CANADIAN JOURNAL OF PHYSICS, 1982, 60 (08) :1081-1087

[3] INDIVIDUALIZED CONFIGURATION SELECTION IN CI CALCULATIONS WITH SUBSEQUENT ENERGY EXTRAPOLATION [J].

BUENKER, RJ ;

PEYERIMH.SD .

THEORETICA CHIMICA ACTA, 1974, 35 (01) :33-58

[4] ENERGY EXTRAPOLATION IN CI CALCULATIONS [J].

BUENKER, RJ ;

PEYERIMHOFF, SD .

THEORETICA CHIMICA ACTA, 1975, 39 (03) :217-228

[5] POTENTIAL-ENERGY AND DIPOLE-MOMENT SURFACES FOR SIMULTANEOUS TORSION AND PYRAMIDALIZATION OF ETHYLENE IN ITS LOWEST-LYING SINGLET EXCITED-STATES - A CL STUDY OF THE SUDDEN POLARIZATION EFFECT [J].

BUENKER, RJ ;

BONACICKOUTECKY, V ;

POGLIANI, L .

JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (04) :1836-1849

[6] APPLICABILITY OF MULTI-REFERENCE DOUBLE-EXCITATION CI (MRD-CI) METHOD TO CALCULATION OF ELECTRONIC WAVEFUNCTIONS AND COMPARISON WITH RELATED TECHNIQUES [J].

BUENKER, RJ ;

PEYERIMHOFF, SD ;

BUTSCHER, W .

MOLECULAR PHYSICS, 1978, 35 (03) :771-791

[7]

BUENKER RJ, UNPUB J MOL STRUCT T

[8]

BUENKER RJ, 1983, NEW HORIZONS QUANTUM, P183

[9]

BUENKER RJ, 1983, ENERGY STORAGE REDIS, P241

[10]

BUENKER RJ, 1982, STUDIES PHYSICAL THE, V21, P17

← 1 2 3 →