|
| | | | |
| | | |
| Stat |
Members: 3645
Articles: 2'501'711
Articles rated: 2609
20 April 2024 |
|
| | | | |
|
Article overview
| |
|
|
Twist-averaged Boundary Conditions in Continuum Quantum Monte Carlo | | C. Lin
; F.-H. Zong
; D. M. Ceperley
; | | Date: |
22 Dec 2000 | | Journal: | Phys. Rev. E 64, 016702 (2001) | | Subject: | Statistical Mechanics | cond-mat.stat-mech | | Abstract: | We develop and test Quantum Monte Carlo algorithms which use a``twist’’ or a phase in the wave function for fermions in periodic boundary conditions. For metallic systems, averaging over the twist results in faster convergence to the thermodynamic limit than periodic boundary conditions for properties involving the kinetic energy with the same computational complexity. We determine exponents for the rate of convergence to the thermodynamic limit for the components of the energy of coulomb systems. We show results with twist averaged variational Monte Carlo on free particles, the Stoner model and the electron gas using Hartree-Fock, Slater-Jastrow, three-body and backflow wavefunction. We also discuss the use of twist averaging in the grand canonical ensemble, and numerical methods to accomplish the twist averaging. | | Source: | arXiv, cond-mat/0101339 | | Services: | Forum | Review | PDF | Favorites | |
|
|
No review found.
Did you like this article?
Note: answers to reviews or questions about the article must be posted in the forum section.
Authors are not allowed to review their own article. They can use the forum section.
browser Mozilla/5.0 AppleWebKit/537.36 (KHTML, like Gecko; compatible; ClaudeBot/1.0; +claudebot@anthropic.com)
|
| |
|
|
|
|
News, job offers and information for researchers and scientists:
| |
REGISTER