Correlated holes and their relationships with reduced density matrices and cumulants
This paper describes a matrix formulation for the correlated hole theory within the framework of the domain-averaged model in many electron systems (atoms, molecules, condensed matter, etc.). General relationships between this quantity and one-particle reduced density matrices for any independent pa...
| Autores: | , , |
|---|---|
| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2005 |
| País: | Argentina |
| Institución: | Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturales |
| Repositorio: | Biblioteca Digital (UBA-FCEN) |
| Idioma: | inglés |
| OAI Identifier: | paperaa:paper_00219606_v122_n8_p_Bochicchio |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_00219606_v122_n8_p_Bochicchio |
| Access Level: | acceso abierto |
| Palabra clave: | Condensed matter Cumulants Molecular systems Quantum fields Computational methods Correlation methods Electrons Functions Mathematical models Matrix algebra Quantum theory Molecular physics |
| Sumario: | This paper describes a matrix formulation for the correlated hole theory within the framework of the domain-averaged model in many electron systems (atoms, molecules, condensed matter, etc.). General relationships between this quantity and one-particle reduced density matrices for any independent particle or correlated state functions are presented. This formulation turns out to be suitable for computational purposes due to the straightforward introduction of cumulants of two-particle reduced density matrices within the quantum field structure. Numerical calculations in selected simple molecular systems have been performed in order to determine preliminary correlated values for such a quantity. |
|---|