Off-Diagonal Wave Function Monte Carlo Studies of Hubbard Model I

Yanagisawa, Takashi; Koike, Soh; Yamaji, Kunihiko

doi:10.1143/jpsj.67.3867

Cited by 49 publications

(68 citation statements)

References 25 publications

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“…Then we can apply the standard Monte Carlo sampling method to evaluate the expectation values. 16,35 In order to perform a search for optimized values of the parameters included in the wave functions, we employ a correlated-measurements method to reduce the cpu time needed to find the most descendent direction in the parameter space. 36 In one Monte Carlo step all the Hubbard-Stratonovich variables are updated once following the Metropolis algorithm.…”

Section: 35mentioning

confidence: 99%

“…The purpose of this paper is to investigate the effect of hole doping in the ground state of the three-band Hubbard model in the underdoped region using a variational Monte Carlo method [14][15][16] which is a tool to control the correlation from weakly to strongly correlated regions. It is shown that the AF long-range ordering disappears due to extra holes doped into the two-dimensional plane.…”

Section: Introductionmentioning

confidence: 99%

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Stripe formation in high-T_csuperconductors

Yanagisawa

Koike

Miyazaki

et al. 2001

J. Phys.: Condens. Matter

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The non-uniform ground state of the two-dimensional three-band Hubbard model for the oxide high-Tc superconductors is investigated using a variational Mont Carlo method. We examine the effect produced by holes doped into the antiferromagnetic (AF) background in the underdoped region. It is shown that the AF state with spin modulations and stripes is stabilized due to holes travelling in the CuO plane. The structures of modulated AF spins are dependent upon the parameters used in the model. The effect of boundary conditions is reduced for large systems. We show that there is a region where incommensurability is proportional to the hole density. Our results give a consistent description of stripes observed by the neutron scattering experiments based on the three-band model for the CuO plane.

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Section: 35mentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Stripe formation in high-T_csuperconductors

Yanagisawa

Koike

Miyazaki

et al. 2001

J. Phys.: Condens. Matter

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“…We choose to demonstrate our scheme on the modified Gutzwiller wave function (GWF) defined as 33,34 |Ψ G = e −hKP G |Φ = e −hK e −β in i↑ni↓ |Φ .…”

Section: Methods a The Gutzwiller Wave Functionmentioning

confidence: 99%

Auxiliary-field-based trial wave functions in quantum Monte Carlo calculations

2016

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Quantum Monte Carlo (QMC) algorithms have long relied on Jastrow factors to incorporate dynamic correlation into trial wave functions. While Jastrow-type wave functions have been widely employed in real-space algorithms, they have seen limited use in second-quantized QMC methods, particularly in projection methods that involve a stochastic evolution of the wave function in imaginary time. Here we propose a scheme for generating Jastrow-type correlated trial wave functions for auxiliary-field QMC methods. The method is based on decoupling the two-body Jastrow into one-body projectors coupled to auxiliary fields, which then operate on a single determinant to produce a multi-determinant trial wave function. We demonstrate that intelligent sampling of the most significant determinants in this expansion can produce compact trial wave functions that reduce errors in the calculated energies. Our technique may be readily generalized to accommodate a wide range of two-body Jastrow factors and applied to a variety of model and chemical systems.

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“…The ground state energy is lowered appreciably by the introduction of λ [11]. This type of wave function is an approximation to the wave function in quantum Monte Carlo method [22][23][24].…”

Section: Optimized Wave Functionmentioning

confidence: 99%

“…The CuO 2 plane in cuprates plays a key role for the appearance of superconductivity [2][3][4][5][6][7][8][9][10] and the electron correlation in this plane is important [11][12][13][14][15][16].…”

Section: Introductionmentioning

confidence: 99%

Electron Correlation in High Temperature Cuprates

Yanagisawa¹,

Miyazaki²,

Yamaji³

2014

JAMP

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Electron correlation plays a key role in high-temperature cuprate superconductors. Material-parameter dependence of cuprates is important to clarify the mechanism of high temperature superconductivity. In this study, we examine the ground state of the three-band Hubbard model (d-p model) that explicitly includes oxygen p orbitals. We consider the half-filled case with the large on-site Coulomb repulsion U d by using the variational Monte Carlo method. The ground state is insulating when U d is large at half-filling. The ground state undergoes a transition from a metal to a Mott insulator when the level difference ε p -ε d is increased.

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Off-Diagonal Wave Function Monte Carlo Studies of Hubbard Model I

Cited by 49 publications

References 25 publications

Stripe formation in high-T_csuperconductors

Stripe formation in high-T_csuperconductors

Auxiliary-field-based trial wave functions in quantum Monte Carlo calculations

Electron Correlation in High Temperature Cuprates

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Off-Diagonal Wave Function Monte Carlo Studies of Hubbard Model I

Cited by 49 publications

References 25 publications

Stripe formation in high-Tcsuperconductors

Stripe formation in high-Tcsuperconductors

Auxiliary-field-based trial wave functions in quantum Monte Carlo calculations

Electron Correlation in High Temperature Cuprates

Contact Info

Product

Resources

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Stripe formation in high-T_csuperconductors

Stripe formation in high-T_csuperconductors