CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 1986, Vol. 3 ›› Issue (1): 14-22.

Previous Articles     Next Articles

ELECTRONIC STRUCTURE OF THE TRANSITION METAL ATOMS AS STUDIED BY MANY-BODY PERTURBATION THEORY

Wang Liang-sheng   

  1. Physics Department, East China Institute of Chemical Technology
  • Received:1985-05-01 Online:1986-03-25 Published:1986-03-25

Abstract: Many-body perturbation theory is employed in a study of the electronic structure of the transition metal atoms through second-onder in the energy. The basis sets consist of STO[8s6p4d1f]. The agreement with experiment is good for Cr atom.