Methods for electronic-structure calculations - an overview from a reduced-density-matrix point of view
| dc.creator | Ziesche, P. | |
| dc.creator | Tasnadi, F. | |
| dc.date | 2003-12-19 | |
| dc.date.accessioned | 2026-07-25T22:57:17Z | |
| dc.description | The methods of quantum chemistry and solid state theory to solve the many-body problem are reviewed. We start with the definitions of reduced density matrices, their properties (contraction sum rules, spectral resolutions, cumulant expansion, $N$-representability), and their determining equations (contracted Schrödinger equations) and we summarize recent extensions and generalizations of the traditional quantum chemical methods, of the density functional theory, and of the quasi-particle theory: from finite to extended systems (incremental method), from density to density matrix (density matrix functional theory), from weak to strong correlation (dynamical mean field theory), from homogeneous (Kimball-Overhauser approach) to inhomogeneous and finite systems. Measures of the correlation strength are discussed. The cumulant two-body reduced density matrix proves to be a key quantity. Its spectral resolution contains geminals, being possibly the solutions of an approximate effective two-body equation, and the idea is sketched of how its contraction sum rule can be used for a variational treatment. | |
| dc.description | 27 pages, conference contribution | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0312516 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0312516 | |
| dc.identifier.uri | https://dspace.dare.co.zw/handle/123456789/94112 | |
| dc.subject | Strongly Correlated Electrons | |
| dc.title | Methods for electronic-structure calculations - an overview from a reduced-density-matrix point of view | |
| dc.type | text |