过渡金属原子电子结构的多体微扰理论计算 ELECTRONIC STRUCTURE OF THE TRANSITION METAL ATOMS AS STUDIED BY MANY-BODY PERTURBATION THEORY期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

过渡金属原子电子结构的多体微扰理论计算

引用本文：	王良琛. 过渡金属原子电子结构的多体微扰理论计算[J]. 计算物理, 1986, 3(1): 14-22

作者姓名：	王良琛

作者单位：	华东化工学院物理系

摘要：	利用多体微扰理论(MBPT)计算了过渡金属原子的电子结构,考虑到能量的二级微扰修正E₂。基集取为STO(8s6p4d1f)。对络原子的计算结果与实验符合很好。
收稿时间：	1985-05-01
ELECTRONIC STRUCTURE OF THE TRANSITION METAL ATOMS AS STUDIED BY MANY-BODY PERTURBATION THEORY

Wang Liang-sheng. ELECTRONIC STRUCTURE OF THE TRANSITION METAL ATOMS AS STUDIED BY MANY-BODY PERTURBATION THEORY[J]. Chinese Journal of Computational Physics, 1986, 3(1): 14-22

Authors:	Wang Liang-sheng

Affiliation:	Physics Department, East China Institute of Chemical Technology

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.

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