Literature DB >> 21568537

Chaotic versus nonchaotic stochastic dynamics in Monte Carlo simulations: a route for accurate energy differences in N-body systems.

Roland Assaraf1, Michel Caffarel, A C Kollias.   

Abstract

We present a method to efficiently evaluate small energy differences of two close N-body systems by employing stochastic processes having a stability versus chaos property. By using the same random noise, energy differences are computed from close trajectories without reweighting procedures. The approach is presented for quantum systems but can be applied to classical N-body systems as well. It is exemplified with diffusion Monte Carlo simulations for long chains of hydrogen atoms and molecules for which it is shown that the long-standing problem of computing energy derivatives is solved.

Entities:  

Year:  2011        PMID: 21568537     DOI: 10.1103/PhysRevLett.106.150601

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  1 in total

1.  Energy Derivatives in Real-Space Diffusion Monte Carlo.

Authors:  Jesse van Rhijn; Claudia Filippi; Stefania De Palo; Saverio Moroni
Journal:  J Chem Theory Comput       Date:  2021-12-20       Impact factor: 6.006

  1 in total

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