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

收藏

页码：987 / 1014

页数：28

相关论文

共 39 条

[1] ABINITIO SCF AND CL STUDIES OF 3 STATES OF NH2
BELL, S
SCHAEFER, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (11) : 5173 - 5177
[2] ELECTRONIC SPLITTING BETWEEN 2B1 AND 2A1 STATES OF NH2 RADICAL
BENDER, CF
SCHAEFER, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (10) : 4798 - &
[3] THE 020 LEVEL IN THE GROUND-STATE OF NH2
BIRSS, FW
MERIENNELAFORE, MF
RAMSAY, DA
VERVLOET, M
[J]. 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
BROWN, JM
CHALKLEY, SW
WAYNE, FD
[J]. MOLECULAR PHYSICS, 1979, 38 (05) : 1521 - 1537
[5] INDIVIDUALIZED CONFIGURATION SELECTION IN CI CALCULATIONS WITH SUBSEQUENT ENERGY EXTRAPOLATION
BUENKER, RJ
PEYERIMH.SD
[J]. THEORETICA CHIMICA ACTA, 1974, 35 (01): : 33 - 58
[6] ENERGY EXTRAPOLATION IN CI CALCULATIONS
BUENKER, RJ
PEYERIMHOFF, SD
[J]. 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
BUENKER, RJ
PEYERIMHOFF, SD
BUTSCHER, W
[J]. 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[9] BUENKER RJ, UNPUBLISHED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
BUNKER, PR
LANDSBERG, BM
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1977, 67 (1-3) : 374 - 385

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