Quasirelativistic multipartitioning perturbation theory calculations on electronic transitions in Au2

被引：17

作者：

Itkin, I ^{[1
]}

Zaitsevskii, A ^{[1
]}

机构：

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

来源：

CHEMICAL PHYSICS LETTERS | 2003年 / 374卷 / 1-2期

关键词：

D O I：

10.1016/S0009-2614(03)00692-4

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：

Quasirelativistic multipartitioning many-body perturbation theory is applied to ab initio calculations on electronic transitions in the gold dimer. Potential energy functions and spectroscopic constants for low-lying excited states and transition dipole moment functions for main radiative decay channels of experimentally observed states are reported. (C) 2003 Elsevier Science B.V. All rights reserved.

引用

页码：143 / 150

页数：8

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