Variational Monte Carlo Method Combined with Quantum-Number Projection and Multi-Variable Optimization(Condensed matter: electronic structure and electrical, magnetic, and optical properties)
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概要
- 論文の詳細を見る
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.
- 社団法人日本物理学会の論文
- 2008-11-15
著者
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Imada Masatoshi
Department Of Applied Physics University Of Tokyo
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Imada Masatoshi
Department Of Applied Physics University Of Tokyo:crest-jst
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Tahara Daisuke
Department Of Physics. University Of Tokyo
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Tahara Daisuke
Department Of Mar. Sci. Fukui Prefectural University
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