Low-Lying-Spectrum of Hydrogen and Helium Electrons
Low-Lying-Spectrum-Hydrogen-Helium-electrons
MATLAB® Live Script contains numerical solution of basic quantum mechanical problems. Starting with analytically solvable case of hydrogen atom and reproducing numerically low-lying energy spectrum and corresponding wavefunctions, we next study helium atom with two electrons. Even though for helium atom system sizes studied are small (with discrete points in each direction), one can see how explicit numerically exact calculation, without variational approximate methods, suggests shell models to interpret level-structure of many-body problem and leads to parahelium and orthohelium states naturally. The final section is dedicated to constructing many-body wavefucntion obeying Pauli principle for 3 interacting electrons, first with, and then, without decomposing three-body coordinate wavefunctions into the product of single-particle orbitals.
Setup
To Run: Download the Live script and run section by section.
MathWorks Products (https://www.mathworks.com)
Requires MATLAB release R2020a or newer
引用格式
Temo Vekua (2024). Low-Lying-Spectrum of Hydrogen and Helium Electrons (https://github.com/MathWorks-Teaching-Resources/Low-Lying-Spectrum-Hydrogen-Helium-electrons), GitHub. 检索来源 .
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版本 | 已发布 | 发行说明 | |
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1.2 | More details are added to finite size effects. |
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1.1 | Linked to github |
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1.0.0 |