Predissociation of the Rg•••I2(B) (Rg = Ne, Ar, Kr) complexes:: simulations based on the first-order diatomics-in-molecule perturbation theory

被引：17

作者：

Buchachenko, AA ^{[1
]}

机构：

[1] Moscow MV Lomonosov State Univ, Dept Chem, Lab Mol Struct & Quantum Mech, Moscow 119899, Russia

来源：

CHEMICAL PHYSICS LETTERS | 1998年 / 292卷 / 03期

基金：

俄罗斯基础研究基金会;

关键词：

D O I：

10.1016/S0009-2614(98)00666-6

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：

Decay dynamics of Rg ... I-2(B)(rare gas (Rg) = Ne, Ar, Kr) van der Waals complexes via vibrational and electronic predissociation channels is considered using analytical first-order intermolecular diatomics-in-molecule perturbation theory (IDLM-PT1). Symmetry arguments, quantum spectator model, and quasiclassical simulations confirm qualitatively the validity of IDIM-PT1 diabatic potential energy surfaces and electronic coupling matrix elements. (C) 1998 Elsevier Science B.V. All rights reserved.

引用

收藏

页码：273 / 281

页数：9

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