Variational Monte Carlo method for electron-phonon coupled systems

Takahiro Ohgoe, Masatoshi Imada

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

We develop a variational Monte Carlo (VMC) method for electron-phonon coupled systems. The VMC method has been extensively used for investigating strongly correlated electrons over the last decades. However, its applications to electron-phonon coupled systems have been severely restricted because of its large Hilbert space. Here, we propose a variational wave function with a large number of variational parameters, which is suitable and tractable for systems with electron-phonon coupling. In the proposed wave function, we implement an unexplored electron-phonon correlation factor, which takes into account the effect of the entanglement between electrons and phonons. The method is applied to systems with diagonal electron-phonon interactions, i.e., interactions between charge densities and lattice displacements (phonons). As benchmarks, we compare VMC results with previous results obtained by the exact diagonalization, the Green function Monte Carlo method and the density matrix renormalization group for the Holstein and Holstein-Hubbard model. From these benchmarks, we show that the present method offers an efficient way to treat strongly coupled electron-phonon systems.

Original languageEnglish
Article number195139
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume89
Issue number19
DOIs
Publication statusPublished - 2014 May 29
Externally publishedYes

Fingerprint

Monte Carlo method
Computer systems
Monte Carlo methods
Electrons
electrons
Phonons
Wave functions
phonons
wave functions
Hubbard model
Electron-phonon interactions
Hilbert spaces
electron phonon interactions
Hilbert space
Charge density
Green's function
Green's functions
interactions

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Variational Monte Carlo method for electron-phonon coupled systems. / Ohgoe, Takahiro; Imada, Masatoshi.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 89, No. 19, 195139, 29.05.2014.

Research output: Contribution to journalArticle

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