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 language | English |
|---|---|
| Article number | 195139 |
| Journal | Physical Review B - Condensed Matter and Materials Physics |
| Volume | 89 |
| Issue number | 19 |
| DOIs | |
| Publication status | Published - 2014 May 29 |
| Externally published | Yes |
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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 journal › Article
}
TY - JOUR
T1 - Variational Monte Carlo method for electron-phonon coupled systems
AU - Ohgoe, Takahiro
AU - Imada, Masatoshi
PY - 2014/5/29
Y1 - 2014/5/29
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=84902213437&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84902213437&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.89.195139
DO - 10.1103/PhysRevB.89.195139
M3 - Article
AN - SCOPUS:84902213437
VL - 89
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 0163-1829
IS - 19
M1 - 195139
ER -