A finite difference Hartree-Fock program for atoms and diatomic molecules (Q483867)
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scientific article; zbMATH DE number 6381389
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| English | A finite difference Hartree-Fock program for atoms and diatomic molecules |
scientific article; zbMATH DE number 6381389 |
Statements
A finite difference Hartree-Fock program for atoms and diatomic molecules (English)
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17 December 2014
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Schrödinger equation of one-electron atomic and diatomic systems
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restricted open-shell Hartree-Fock method
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atoms
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diatomic molecules
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density functional theory potentials
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finite field method
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eighth-order discretization
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(multicolour) successive overrelaxation
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0.8911195
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0.8904062
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0.8832586
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0.86325616
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