Computational considerations in solving the many electron problem for molecular systems (Q1110295)
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| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Computational considerations in solving the many electron problem for molecular systems |
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Computational considerations in solving the many electron problem for molecular systems (English)
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1986
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The author investigates a general approximate method for solving the many electron Schrödinger equation for a molecule or a molecular fragment representing a solid. The method chosen is the unrestricted Hartree-Fock method augmented by a size - consistent many body perturbation theory correction. Computational considerations are discussed and a few sample results obtained to illustrate the potential of the method.
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many electron Schrödinger equation
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unrestricted Hartree-Fock method
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many body perturbation theory correction
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