Information AboutPost-hartree-fock |
| CATEGORIES ABOUT POST-HARTREE-FOCK | |
| quantum chemistry | |
| computational chemistry | |
For the great majority of systems under study, in particular for excited states and processes such as molecular dissociation reactions, the fourth item is by far the most important. As a result, the term ''post-Hartree-Fock method'' is typically used for methods of approximating the electron correlation of a system. Usually, post-Hartree-Fock methods give more accurate results than Hartree-Fock calculations, although the added accuracy comes with the price of added computational cost, of course. POST-HARTREE-FOCK METHODS
RELATED METHODS Methods that use more than one determinant are not strictly post-Hartree-Fock methods, as they use a single determinant as reference, but they often use similar perturbation, or configuration interaction methods to improve the description of electron correlation. These methods include:
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