A THEORETICAL-STUDY OF THE LOWEST B-2(1), A-2(1) AND B-2(2) ELECTRONIC STATES IN H2S+ AND A COMPARISON WITH CORRESPONDING STATES IN RELATED SYSTEMS

被引：32

作者：

BRUNA, PJ

HIRSCH, G

PERIC, M

PEYERIMHOFF, SD

BUENKER, RJ

机构：

来源：

MOLECULAR PHYSICS | 1980年 / 40卷 / 03期

关键词：

D O I：

10.1080/00268978000101671

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：521 / 537

页数：17

共 43 条

[1] RENNER EFFECT IN A BENT TRIATOMIC MOLECULE EXECUTING A LARGE-AMPLITUDE BENDING VIBRATION [J].

BARROW, T ;

DIXON, RN ;

DUXBURY, G .

MOLECULAR PHYSICS, 1974, 27 (05) :1217-1234

[2] ABINITIO SCF AND CL STUDIES OF 3 STATES OF NH2 [J].

BELL, S ;

SCHAEFER, HF .

JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (11) :5173-5177

[3] APPLICATION OF AB-INITIO UHF METHOD TO CALCULATION OF POTENTIAL-ENERGY SURFACES FOR SMALL FREE-RADICALS [J].

BROWN, RD ;

WILLIAMS, GR .

MOLECULAR PHYSICS, 1973, 25 (03) :673-694

[4]

BRUNA PJ, UNPUBLISHED

[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] MOLECULAR GEOMETRY AND MULLIKEN-WALSH MOLECULAR-ORBITAL MODEL - AB-INITIO STUDY [J].

BUENKER, RJ ;

PEYERIMH.SD .

CHEMICAL REVIEWS, 1974, 74 (02) :127-188

[8] THEORETICAL-STUDY OF VERTICAL ELECTRONIC-SPECTRUM OF O2 - MIXING OF VALENCE AND RYDBERG STATES [J].

BUENKER, RJ ;

PEYERIMHOFF, SD .

CHEMICAL PHYSICS, 1975, 8 (03) :324-337

[9]

BUENKER RJ, 1978, EXCITED STATES QUANT, P63

[10] CALCULATION OF VERTICAL IONIZATION-POTENTIALS BY CONFIGURATION INTERACTION [J].

CHONG, DP ;

LANGHOFF, SR .

CHEMICAL PHYSICS LETTERS, 1978, 59 (03) :397-402

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