类He离子基态的Hartree-Fock有限元计算

计算物理 ›› 1988, Vol. 5 ›› Issue (3): 289-301.

类He离子基态的Hartree-Fock有限元计算

石嵩¹, 丁培柱²

1. 电子工业部中国软件技术公司;
2. 吉林大学原子分子物理所

收稿日期:1987-10-17 出版日期:1988-09-25 发布日期:1988-09-25

HARTREE-FOCK FINITE ELEMENT CALCULATIONS FOR THE HELIUM-LIKE ION GROUND STATE

Shi Sung¹, Ding Pei-Zhu²

1. Ministry of Electronic Industry, Software Techniqus Company of China;
2. Jilin University, Institute of Atomic and Molecular Physics

Received:1987-10-17 Online:1988-09-25 Published:1988-09-25

摘要/Abstract

摘要： FEM直至七十年代中期才应用于原子分子问题。已有工作虽不多,却说明FEM对一维和二维问题是有效的,但应用于n(≥3)电子原子问題至少在目前是不现实的。我们提出一种FEM与HF方法相结合的方法(HFFEM),在DPS8机上计算了类He离子的基态能量与平均值<rⁿ>,能量计算值与实验值的误差在0.3%~0.03%之间。这种HFFEM可推广应用于各种原子与分子问题。

Abstract: It is in the middle of 70's FEM has been used to obtain numerical solutions of atom and molecule problems. Little as the research work done is, it is shown that FEM is effective for one and two dimensions problems. But at least now it is impossible to use to problems of atom with n (≥ 3) electrons. A method (HFFEM) combined FEM with HF method is advanced and by using HFFEM the energy of the He-like ion ground state and mean value n> is computed on DP58. Compared the energy value obtained with one measured, the error lies between 0.3% and 0.03%. The HFFEM may be extended to applied to various atom and molecule problems.

石嵩, 丁培柱. 类He离子基态的Hartree-Fock有限元计算[J]. 计算物理, 1988, 5(3): 289-301.

Shi Sung, Ding Pei-Zhu. HARTREE-FOCK FINITE ELEMENT CALCULATIONS FOR THE HELIUM-LIKE ION GROUND STATE[J]. CHINESE JOURNAL OF COMPUTATIONAL PHYSICS, 1988, 5(3): 289-301.