Electron density analysis of two-electron systems confined by prolate spheroids with hard walls
The electron density of two-electron systems, He and H _2 , was analyzed when prolate spheroids with hard walls confine these systems. For this purpose, Hartree–Fock equations were solved using Roothaan's approach with a basis set defined in prolate spheroidal coordinates imposing Dirichlet bou...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2024-01-01
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| Series: | Journal of Physics Communications |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/2399-6528/ad246e |