AN ABINITIO STUDY OF THE ROTATION-VIBRATION ENERGY-LEVELS OF GEH2 IN THE AB-3(1) STATE

被引：44

作者：

PHILLIPS, RA ^{[1
]}

BUENKER, RJ ^{[1
]}

BEARDSWORTH, R ^{[1
]}

BUNKER, PR ^{[1
]}

JENSEN, P ^{[1
]}

KRAEMER, WP ^{[1
]}

机构：

[1] MAX PLANCK INST PHYS & ASTROPHYS,INST ASTROPHYS,D-8046 GARCHING,FED REP GER

来源：

CHEMICAL PHYSICS LETTERS | 1985年 / 118卷 / 01期

关键词：

D O I：

10.1016/0009-2614(85)85266-0

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：60 / 63

页数：4

共 14 条

[1] STRUCTURE AND SINGLET-TRIPLET SEPARATION IN SIMPLE GERMYLENES GEH2, GEF2, AND GE(CH3)2 [J].

BARTHELAT, JC ;

ROCH, BS ;

TRINQUIER, G ;

SATGE, J .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (12) :4080-4085

[2]

BUENKER PR, 1983, ANNU REV PHYS CHEM, V34, P59

[3]

Buenker R. J., 1981, COMPUTATIONAL THEORE, P55

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

BUENKER, RJ ;

PEYERIMH.SD .

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

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

BUENKER, RJ ;

PEYERIMHOFF, SD .

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

[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] A REFINED POTENTIAL SURFACE FOR THE X3B1 ELECTRONIC STATE OF METHYLENE CH2 [J].

BUNKER, PR ;

JENSEN, P .

JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (03) :1224-1228

[8] AN ABINITIO STUDY OF THE ROTATION VIBRATION ENERGY-LEVELS OF GEH2 IN THE X-APPROXIMATELY-1A1 STATE [J].

BUNKER, PR ;

PHILLIPS, RA ;

BUENKER, RJ .

CHEMICAL PHYSICS LETTERS, 1984, 110 (04) :351-355

[9] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) :716-+

[10] GAUSSIAN BASIS SETS FOR ATOMS GALLIUM THROUGH KRYPTON [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (03) :1382-1383

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