Computational considerations in solving the many electron problem for molecular systems (Q1110295)
From MaRDI portal
 | This is the item page for this Wikibase entity, intended for internal use and editing purposes. Please use this page instead for the normal view: Computational considerations in solving the many electron problem for molecular systems |
scientific article; zbMATH DE number 4072324
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Computational considerations in solving the many electron problem for molecular systems |
scientific article; zbMATH DE number 4072324 |
Statements
Computational considerations in solving the many electron problem for molecular systems (English)
0 references
1986
0 references
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.
0 references
many electron Schrödinger equation
0 references
unrestricted Hartree-Fock method
0 references
many body perturbation theory correction
0 references
