Title | ACCELERATED METROPOLIS METHOD |
Publication Type | Journal Article |
Year of Publication | 1993 |
Authors | Umrigar CJ |
Journal | Phys. Rev. Lett. |
Volume | 71 |
Pagination | 408-411 |
Date Published | Jul 19 |
ISSN | 0031-9007 |
Abstract | It is shown that the freedom in the choice of the proposal matrix in the generalized Metropolis method can be used to greatly enhance the efficiency of the method. For example, the difficulties associated with the existence of multiple length scales in electronic structure calculations can be avoided by making an intelligent choice. Results are presented for Ne, Ar, and Li2. |
DOI | 10.1103/PhysRevLett.71.408 |
Investigating Quantum Monte Carlo, Electronic Structure Theory