A Numerical Method for Solving the Time Dependent Hartree-Fock Equations of the Helium Atom

被引：0

作者：

Naranchimeg, D. ^{[1
]}

Sukh, O. ^{[1
]}

Munkhsaikhan, G. ^{[1
]}

Tsogbadrakh, N. ^{[2
]}

机构：

[1] Department of Physics, School of Applied Sciences, Mongolian University of Science and Technology, Ulaanbaatar

[2] Department of Physics, School of Arts and Sciences, National University of Mongolia, Ulaanbaatar

来源：

Defect and Diffusion Forum | 2024年 / 436卷

关键词：

atomic structure; exchange potential; Hartree-Fock equations; Self-consistent field;

D O I：

10.4028/p-Siekx9

中图分类号：

学科分类号：

摘要：

This paper presents an efficient and accurate method for solving the time-dependent Hartree-Fock equations for the helium atom in the ground and single excited states. The radial coordinate is discretized by the discrete variable representation (DVR), which is constructed from Coulomb wave functions. To solve the equation, the spectral method with Coloumb wave functions is used as a basis. We illustrate that the calculated electronic energies for the helium atom are in good agreement with the best available experimental values. The CWDVR method proves to be more economical and efficient as it uses the optimal few numbers of grid points compared to other numerical calculations. © 2024 Trans Tech Publications Ltd, All Rights Reserved.

引用

页码：139 / 145

页数：6

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