Variational Monte Carlo method combined with quantum-number projection and multi-variable optimization

Daisuke Tahara, Masatoshi Imada

Research output: Contribution to journalArticle

78 Citations (Scopus)

Abstract

Variational wave functions used in the variational Monte Carlo (VMC) method are extensively improved to overcome the biases coming from the assumed variational form of the wave functions. We construct a highly generalized variational form by introducing a large number of variational parameters to the Gutzwiller-Jastrow factor as well as to the one-body part. Moreover, the projection operator to restore the symmetry of the wave function is introduced. These improvements enable to treat fluctuations with long-ranged as well as short-ranged correlations. A highly generalized wave function is implemented by the Pfaffians introduced by Bouchaud et al., together with the stochastic reconfiguration method introduced by Sorella for the parameter optimization. Our framework offers much higher accuracy for strongly correlated electron systems than the conventional variational Monte Carlo methods.

Original languageEnglish
Article number114701
Journaljournal of the physical society of japan
Volume77
Issue number11
DOIs
Publication statusPublished - 2008 Nov 1

Keywords

  • Hubbard model
  • Quantumnumber projection
  • Stochastic reconfiguration method
  • Strongly correlated electron systems
  • Variational Monte Carlo method

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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