Skip to Main Content (Press Enter)

Logo UNINSUBRIA
  • ×
  • Home
  • Degrees
  • Courses
  • Jobs
  • People
  • Outputs
  • Organizations
  • Third Mission
  • Projects
  • Expertise & Skills

UNI-FIND
Logo UNINSUBRIA

|

UNI-FIND

uninsubria.it
  • ×
  • Home
  • Degrees
  • Courses
  • Jobs
  • People
  • Outputs
  • Organizations
  • Third Mission
  • Projects
  • Expertise & Skills
  1. Outputs

Delayed rejection variational Monte Carlo

Academic Article
Publication Date:
2004
abstract:
A new acceleration algorithm to address the problem of multiple time scales in variational Monte Carlo simulations is presented. After a first attempted move has been rejected, the delayed rejection algorithm attempts a second move with a smaller time step, so that even moves of the core electrons can be accepted. Results on Be and Ne atoms as test cases are presented. Correlation time and both average accepted displacement and acceptance ratio as a function of the distance from the nucleus evidence the efficiency of the proposed algorithm in dealing with the multiple time scales problem
Iris type:
Articolo su Rivista
List of contributors:
Bressanini, Dario; Morosi, Gabriele; Tarasco, Silvia; Mira, Antonietta
Authors of the University:
BRESSANINI DARIO
MIRA ANTONIETTA
Handle:
https://irinsubria.uninsubria.it/handle/11383/1491434
Full Text:
https://irinsubria.uninsubria.it//retrieve/handle/11383/1491434/523/2004-bressanini-jcp-JChemPhys_121_3446.pdf
Published in:
THE JOURNAL OF CHEMICAL PHYSICS
Journal
  • Accessibility
  • Use of cookies

Powered by VIVO | Designed by Cineca | 26.9.0.0