화학공학소재연구정보센터
Chemical Physics Letters, Vol.374, No.1-2, 143-150, 2003
Quasirelativistic multipartitioning perturbation theory calculations on electronic transitions in Au-2
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.