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
收藏
页码：1542 / 1549
页数：8
相关论文
共 29 条
  • [1] MICROWAVE SPECTRUM OF NO2 - FINE STRUCTURE + MAGNETIC COUPLING
    BIRD, GR
    RASTRUPANDERSEN, J
    BRANSFORD, JW
    CURL, RF
    KUNKLE, AC
    HODGESON, JA
    JACHE, AW
    BAIRD, JC
    ROSENTHAL, J
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (11) : 3378 - &
  • [2] RESONANCE FLUORESCENCE INTENSITIES AND VIBRATIONAL ASSIGNMENTS IN THE A2B2 STATE OF NO2
    BRAND, JCD
    CROSS, KJ
    HOY, AR
    [J]. CANADIAN JOURNAL OF PHYSICS, 1982, 60 (08) : 1081 - 1087
  • [3] INDIVIDUALIZED CONFIGURATION SELECTION IN CI CALCULATIONS WITH SUBSEQUENT ENERGY EXTRAPOLATION
    BUENKER, RJ
    PEYERIMH.SD
    [J]. THEORETICA CHIMICA ACTA, 1974, 35 (01): : 33 - 58
  • [4] ENERGY EXTRAPOLATION IN CI CALCULATIONS
    BUENKER, RJ
    PEYERIMHOFF, SD
    [J]. 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
    BUENKER, RJ
    BONACICKOUTECKY, V
    POGLIANI, L
    [J]. 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
    BUENKER, RJ
    PEYERIMHOFF, SD
    BUTSCHER, W
    [J]. 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
123