Spin-unrestricted formalism for a partially restricted Hartree--Fock approach (Q1610771)
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scientific article; zbMATH DE number 1784472
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Spin-unrestricted formalism for a partially restricted Hartree--Fock approach |
scientific article; zbMATH DE number 1784472 |
Statements
Spin-unrestricted formalism for a partially restricted Hartree--Fock approach (English)
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20 August 2002
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partially restricted wave function
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orthogonality constraints
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single Slater determinant
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molecular orbitals
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unrestricted Møller-Plesset perturbation theories
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electron correlation effects
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