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

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.

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Publication Details

Journal
Defect and diffusion forum/Diffusion and defect data, solid state data. Part A, Defect and diffusion forum
Published
2024-09-20
DOI
https://doi.org/10.4028/p-siekx9
Primary Topic
Atomic and Molecular Physics
Type
article
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article

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

Namsrai Tsogbadrakh, Sukh Ochir, Gonchigsuren Munkhsaikhan, D. Naranchimeg
Defect and diffusion forum/Diffusion and defect data, solid state data. Part A, Defect and diffusion forum
Atomic and Molecular Physics
article

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

Namsrai Tsogbadrakh, Sukh Ochir, Gonchigsuren Munkhsaikhan, D. Naranchimeg
article en

Abstract

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.

Defect and diffusion forum/Diffusion and defect data, solid state data. Part A, Defect and diffusion forumVol. 436
Mongolian University of Science and Technology (MN), National University of Mongolia (MN)
Openalex Percentile: Top 86%
Atomic and Molecular Physics
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A Numerical Method for Solving the Time Dependent Hartree-Fock Equations of the Helium Atom — Namsrai Tsogbadrakh, Sukh Ochir, et al. · Defect and diffusion forum/Diffusion and defect data, solid state data. Part A, Defect and diffusion forum (2024) | TGRS Research Map | TGRS