Comparar métodos
Examine os métodos selecionados lado a lado; as linhas que diferem ficam destacadas.
| Método de Hartree-Fock× | Método KKR× | |
|---|---|---|
| Área | Computação quântica | Computação quântica |
| Família | Machine learning | Machine learning |
| Ano de origem≠ | 1928 | 1947 |
| Autor original≠ | Douglas Hartree and Vladimir Fock | Joop Korringa and Walter Kohn |
| Tipo | Electronic structure method | Electronic structure method |
| Fonte seminal≠ | Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗ | Korringa, J. (1947). On the calculation of the energy of a Bloch wave in a metal. Physica, 13, 392–400. DOI ↗ |
| Outros nomes | HF, self-consistent field | KKR, multiple scattering |
| Relacionados≠ | 4 | 3 |
| Resumo≠ | The Hartree-Fock (HF) method is a foundational self-consistent field approach for solving the many-electron Schrödinger equation. Developed independently by Douglas Hartree and Vladimir Fock in the late 1920s, it approximates the ground state by assuming electrons move in an average field generated by all other electrons, enabling tractable quantum chemistry calculations. | The Korringa-Kohn-Rostoker (KKR) method is a powerful multiple-scattering approach for calculating electronic band structures and properties of periodic and disordered solids. Developed in the late 1940s, KKR treats electrons as scattering from atomic potentials in a muffin-tin geometry, enabling efficient calculations for both crystalline and amorphous systems. |
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