NON-ADIABATIC INVESTIGATION OF THE V-N SPECTRUM OF ETHYLENE IN A NEW DIABATIC REPRESENTATION

被引：45
|
作者：
PETRONGOLO, C
BUENKER, RJ
PEYERIMHOFF, SD
机构：
[1] UNIV GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER
[2] UNIV BONN,LEHRSTUHL THEORET CHEM,D-5300 BONN 1,FED REP GER
来源：
JOURNAL OF CHEMICAL PHYSICS | 1983年 / 78卷 / 12期
关键词：
D O I：
10.1063/1.444717
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：7284 / 7289
页数：6
相关论文
共 50 条
  • [1] NON-ADIABATIC TREATMENT OF THE INTENSITY DISTRIBUTION IN THE V-N BANDS OF ETHYLENE
    PETRONGOLO, C
    BUENKER, RJ
    PEYERIMHOFF, SD
    JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (07): : 3655 - 3667
  • [2] NON-ADIABATIC TREATMENT OF THE INTENSITY DISTRIBUTION IN THE V-N BANDS OF ETHYLENE - COMMENT
    MCDIARMID, R
    JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (06): : 3170 - 3171
  • [3] Treatment of asymptotic non-adiabatic couplings with higher order reprojection method in the diabatic representation
    Hedvall, Patrik
    Hornquist, Johan
    Yakovlev, Sergey L.
    Elander, Nils O.
    Larson, Asa
    JOURNAL OF CHEMICAL PHYSICS, 2024, 161 (05):
  • [4] Perturbative wave-packet spawning procedure for non-adiabatic dynamics in diabatic representation
    Izmaylov, Artur F.
    JOURNAL OF CHEMICAL PHYSICS, 2013, 138 (10):
  • [5] Non-adiabatic molecular dynamics with complex quantum trajectories. I. The diabatic representation
    Zamstein, Noa
    Tannor, David J.
    JOURNAL OF CHEMICAL PHYSICS, 2012, 137 (22):
  • [6] NEW INTERPRETATION FOR STRUCTURE OF V-N BANDS OF ETHYLENE
    BUENKER, RJ
    PEYERIMHOFF, SD
    HSU, HL
    CHEMISTRY AND PHYSICS OF LIPIDS, 1971, 11 (01) : 65 - +
  • [7] Quantized non-adiabatic coupling terms to ensure diabatic potentials
    Baer, M
    Alijah, A
    CHEMICAL PHYSICS LETTERS, 2000, 319 (5-6) : 489 - 493
  • [8] ELECTRONIC NON-ADIABATIC TRANSITIONS - DERIVATION OF THE GENERAL ADIABATIC-DIABATIC TRANSFORMATION MATRIX
    BAER, M
    MOLECULAR PHYSICS, 1980, 40 (04) : 1011 - 1013
  • [9] Theory of odd torsional transitions in the V-N resonance Raman spectrum of ethylene
    Watson, JKG
    Siebrand, W
    Pawlikowski, M
    Zgierski, MZ
    JOURNAL OF CHEMICAL PHYSICS, 1996, 105 (04): : 1348 - 1354
  • [10] V-N VERTICAL TRANSITION OF PLANAR ETHYLENE
    COLLE, R
    MOSCARDO, F
    RIANI, P
    SALVETTI, O
    THEORETICA CHIMICA ACTA, 1977, 44 (01): : 1 - 7
12345