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

Daisuke Tahara*, Masatoshi Imada

*この研究の対応する著者

研究成果: Article査読

91 被引用数 (Scopus)

抄録

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.

本文言語English
論文番号114701
ジャーナルjournal of the physical society of japan
77
11
DOI
出版ステータスPublished - 2008 11
外部発表はい

ASJC Scopus subject areas

  • 物理学および天文学(全般)

フィンガープリント

「Variational Monte Carlo method combined with quantum-number projection and multi-variable optimization」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

引用スタイル