ABINITIO TREATMENT OF THE RENNER-TELLER EFFECT FOR THE X2B1 AND A2A1 ELECTRONIC STATES OF NH-2

被引：66

作者：

BUENKER, RJ ^{[1
]}

PERIC, M ^{[1
]}

PEYERIMHOFF, SD ^{[1
]}

MARIAN, R ^{[1
]}

机构：

[1] UNIV BONN,LEHRSTUHL THEORET CHEM,D-5300 BONN 1,FED REP GER

来源：

MOLECULAR PHYSICS | 1981年 / 43卷 / 05期

关键词：

D O I：

10.1080/00268978100101821

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：987 / 1014

页数：28

共 39 条

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

BELL, S ;

SCHAEFER, HF .

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

[2] ELECTRONIC SPLITTING BETWEEN 2B1 AND 2A1 STATES OF NH2 RADICAL [J].

BENDER, CF ;

SCHAEFER, HF .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (10) :4798-&

[3] THE 020 LEVEL IN THE GROUND-STATE OF NH2 [J].

BIRSS, FW ;

MERIENNELAFORE, MF ;

RAMSAY, DA ;

VERVLOET, M .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1981, 85 (02) :493-495

[4] DETERMINATION OF THE DIPOLE-MOMENT OF THE AMINO RADICAL BY OPTICAL STARK SPECTROSCOPY WITH A TUNABLE DYE-LASER [J].

BROWN, JM ;

CHALKLEY, SW ;

WAYNE, FD .

MOLECULAR PHYSICS, 1979, 38 (05) :1521-1537

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

BUENKER, RJ ;

PEYERIMH.SD .

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

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

BUENKER, RJ ;

PEYERIMHOFF, SD .

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

[7] 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

[8]

BUENKER RJ, 1978, GAZZ CHIM ITAL, V108, P245

[9]

BUENKER RJ, UNPUBLISHED

[10] RIGID BENDER AND SEMIRIGID BENDER MODELS FOR ROTATION-VIBRATION HAMILTONIAN [J].

BUNKER, PR ;

LANDSBERG, BM .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1977, 67 (1-3) :374-385

← 1 2 3 4 →