Computation of the High Temperature Coulomb Density Matrix in Periodic Boundary Conditions
| dc.creator | Militzer, B. | |
| dc.date | 2009-04-27 | |
| dc.date.accessioned | 2026-07-07T13:09:19Z | |
| dc.date.available | 2026-07-07T13:09:19Z | |
| dc.description | The high temperature many-body density matrix is fundamental to path integral computation. The pair approximation, where the interaction part is written as a product of pair density matrices, is commonly used and is accurate to order tau squared, where tau is the step size in the imaginary time. Here we present a method for systems with Coulomb interactions in periodic boundary conditions that consistently treats the all interactions with the same level of accuracy. It shown that this leads to a more accurate high temperature solution of the Bloch equation. The method is applied to many-body simulation and tests for the isolated hydrogen atom and molecule are presented. | |
| dc.description | 16 pages, 8 figures, 4 tables, 33 references | |
| dc.identifier | https://arxiv.org/abs/0904.4282 | |
| dc.identifier | http://arxiv.org/abs/0904.4282 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/228691 | |
| dc.subject | Materials Science | |
| dc.title | Computation of the High Temperature Coulomb Density Matrix in Periodic Boundary Conditions | |
| dc.type | text |