arXiv subjects

Takahiro Ohgoe

Publications and source records attributed to Takahiro Ohgoe.

16 recordsLinked to original sources

arXiv2025

Quantum computation of a quasiparticle band structure with the quantum-selected configuration interaction

Quasiparticle band structures are fundamental for understanding strongly correlated electron systems. While solving these structures accurately on classical computers is challenging, quantum computing offers a promising alternative. Specifically, the quantum subspace expansion (QSE) method, combined with the variational quantum eigensolver (VQE), provides a quantum algorithm for calculating quasiparticle band structures. However, optimizing the variational parameters in VQE becomes increasingly difficult as the system size grows, due to device noise, statistical noise, and the barren plateau problem. To address these challenges, we propose a hybrid approach that combines QSE with the quantum-selected configuration interaction (QSCI) method for calculating quasiparticle band structures. QSCI may leverage the VQE ansatz as an input state but, unlike the standard VQE, it does not require full optimization of the variational parameters, making it more scalable for larger quantum systems. Based on this approach, we demonstrate the quantum computation of the quasiparticle band structure of a silicon using 16 qubits on an IBM quantum processor.

quant-ph↗

arXiv2023

Demonstrating Quantum Computation for Quasiparticle Band Structures

Understanding and predicting the properties of solid-state materials from first-principles has been a great challenge for decades. Owing to the recent advances in quantum technologies, quantum computations offer a promising way to achieve this goal. Here, we demonstrate the first-principles calculation of a quasiparticle band structure on actual quantum computers. This is achieved by hybrid quantum-classical algorithms in conjunction with qubit-reduction and error-mitigation techniques. Our demonstration will pave the way to practical applications of quantum computers.

quant-ph↗

arXiv2019

Ab Initio Study on Superconductivity and Inhomogeneity in Hg-based Cuprate Superconductor

Understanding physics of high-$T_c$ cuprate superconductors remains one of the important problems in materials science. Though a number of diverse theories argue about the superconductivity and competing orders, ab initio and quantitative understanding is lacking. Here, we reproduce the experimental phase diagram of HgBa$_2$CuO$_{4+y}$ by solving its ab initio low-energy effective Hamiltonian without adjustable parameters. It shows a superconducting phase in a wide range of hole density $δ$, and its competition with charge period-4 plus spin period-8 stripe order near $δ\sim 0.1$, in agreement with experimental results including recent X-ray scattering. Then a crucial role of off-site interactions in stabilizing the superconductivity is elucidated with emphasis on charge fluctuations. It also clarifies the condensation energy mainly contributed from the onsite Coulomb interaction. The present achievement will enable deeper, predictable understanding on open issues of the high-$T_c$ superconducting mechanism and promote ab initio studies on strongly correlated electrons beyond parametrized model studies.

cond-mat.str-el↗

arXiv2019

Effective Hamiltonian for cuprate superconductors derived from multi-scale ab initio scheme with level renormalization

Three-types (three-band, two-band and one-band) of effective Hamiltonians for the HgBa$_2$CuO$_4$ and three-band effective Hamiltonian for La$_2$CuO$_4$ are derived beyond the level of the constrained-GW approximation combined with the self-interaction correction (cGW-SIC) derived in Hirayama et al. Phys. Rev. B 98, 134501 (2018) by improving the treatment of the interband Hartree energy. The charge gap and antiferromagnetic ordered moment show good agreement with the experimental results when the present effective Hamiltonian is solved, indicating the importance of the present refinement. The obtained Hamiltonians will serve to clarify the electronic structures of these copper oxide superconductors and to elucidate the superconducting mechanism.

cond-mat.str-el↗

arXiv2018

Resummation of diagrammatic series with zero convergence radius for strongly correlated fermions

We demonstrate that summing up series of Feynman diagrams can yield unbiased accurate results for strongly-correlated fermions even when the convergence radius vanishes. We consider the unitary Fermi gas, a model of non-relativistic fermions in three-dimensional continuous space. Diagrams are built from partially-dressed or fully-dressed propagators of single particles and pairs. The series is resummed by a conformal-Borel transformation that incorporates the large-order behavior and the analytic structure in the Borel plane, which are found by the instanton approach. We report highly accurate numerical results for the equation of state in the normal unpolarized regime, and reconcile experimental data with the theoretically conjectured fourth virial coefficient.

cond-mat.quant-gas↗

arXiv2018

mVMC - Open-source software for many-variable variational Monte Carlo method

mVMC (many-variable Variational Monte Carlo) is an open-source software based on the variational Monte Carlo method applicable for a wide range of Hamiltonians for interacting fermion systems. In mVMC, we introduce more than ten thousands variational parameters and simultaneously optimize them by using the stochastic reconfiguration (SR) method. In this paper, we explain basics and user interfaces of mVMC. By using mVMC, users can perform the calculation by preparing only one input file of about ten lines for widely studied quantum lattice models, and can also perform it for general Hamiltonians by preparing several additional input files. We show the benchmark results of mVMC for the Hubbard model, the Heisenberg model, and the Kondo-lattice model. These benchmark results demonstrate that mVMC provides ground-state and low-energy-excited-state wave functions for interacting fermion systems with high accuracy.

cond-mat.str-el↗

arXiv2017

Competition among various charge-inhomogeneous states and d-wave superconducting state in Hubbard models on square lattices

We study competitions between charge uniform and inhomogeneous states in two-dimensional Hubbard models by using a variational Monte Carlo method. At realistic parameters for cuprate superconductors, emergent effective attraction of carriers generated from repulsive Coulomb interaction leads to charge/spin stripe ground states, which severely compete with uniform superconducting excited states in the energy scale of 10 K for the cuprates. Stripe period increases with decreasing hole doping $δ$, which agrees with the experiments for La-based cuprates at $δ$ = 1/8. For lower $δ$, we find a phase separation. Implications of the emergent attraction for the cuprates are discussed.

cond-mat.supr-con↗

arXiv2017

Competition among Superconducting, Antiferromagnetic, and Charge Orders with Intervention by Phase Separation in the 2D Holstein-Hubbard Model

Using a variational Monte Carlo method, we study competitions of strong electron-electron and electron-phonon interactions in the ground state of Holstein-Hubbard model on a square lattice. At half filling, an extended intermediate metallic or weakly superconducting (SC) phase emerges, sandwiched by antiferromagnetic and charge order (CO) insulating phases. By the carrier doping into the CO insulator, the SC order dramatically increases for strong electron-phonon couplings, but largely hampered by wide phase separation (PS) regions. Superconductivity is optimized at the border to the PS.

cond-mat.supr-con↗

arXiv2017

Correlation-induced superconductivity dynamically stabilized and enhanced by laser irradiation

Studies on out-of-equilibrium dynamics have paved a way to realize a new state of matter. Especially, superconductor-like properties above room temperatures recently suggested in copper oxides achieved by selectively exciting vibrational phonon modes by laser have inspired studies on an alternative and general strategy to be pursued for high temperature superconductivity. Here, we show that the superconductivity can be enhanced by irradiating laser to correlated electron systems owing to two mechanisms: First, the effective attractive interaction of carriers is enhanced by the dynamical localization mechanism, which drives the system into strong coupling regions. Secondly, the irradiation allows reaching uniform and enhanced superconductivity dynamically stabilized without deteriorating into equilibrium inhomogeneities that suppress superconductivity. The dynamical superconductivity is subject to the Higgs oscillations during and after the irradiation. Our finding shed light on a way to enhance superconductivity that is inaccessible in equilibrium in strongly correlated electron systems.

cond-mat.supr-con↗

arXiv2015

Time-dependent many-variable variational Monte Carlo method for nonequilibrium strongly correlated electron systems

We develop a time-dependent variational Monte Carlo (t-VMC) method for quantum dynamics of strongly correlated electrons. The t-VMC method has been recently applied to bosonic systems and quantum spin systems. Here, we propose a time-dependent trial wave function with many variational parameters, which is suitable for nonequilibrium strongly correlated electron systems. As the trial state, we adopt the generalized pair-product wave function with correlation factors and quantum-number projections. This trial wave function has been proven to accurately describe ground states of strongly correlated electron systems. To show the accuracy and efficiency of our trial wave function in nonequilibrium states as well, we present our benchmark results for relaxation dynamics during and after interaction quench protocols of fermionic Hubbard models. We find that our trial wave function well reproduces the exact results for the time evolution of physical quantities such as energy, momentum distribution, spin structure factor, and superconducting correlations. These results show that the t-VMC with our trial wave function offers an efficient and accurate way to study challenging problems of nonequilibrium dynamics in strongly correlated electron systems.

cond-mat.str-el↗

arXiv2014

Variational Monte Carlo Method for Electron-Phonon Coupled Systems

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 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.

cond-mat.str-el↗

arXiv2012

Quantum phases of hard-core bosons on 2D lattices with anisotropic dipole-dipole interaction

By using an unbiased quantum Monte Carlo method, we investigate the hard-core Bose-Hubbard model on a square lattice with anisotropic dipole-dipole interaction. To study the effect of the anisotropy, dipole moments are assumed to be polarized in the $y$ direction on the two-dimensional (2D) $xy$ plane. To perform efficient simulations of long-range interacting systems, we use the worm algorithm with an O(N) Monte Carlo method. We obtain the ground-state phase diagram that includes a superfluid phase and a striped solid phase at half-filling as two main phases. In addition to these two main phases, we find a small region where there are multi plateaus in the particle density for small hopping amplitudes. In this region, the number of plateaus increases as the system size increases. This indicates the appearance of numerous competing ground states due to frustrated interactions. In our simulations, we find no evidence of a supersolid phase.

cond-mat.quant-gas↗

arXiv2012

Ground-State Phase Diagram of the Two-Dimensional Extended Bose-Hubbard Model

We investigate the ground-state phase diagram of the soft-core Bose-Hubbard model with the nearest-neighbor repulsion on a square lattice by using an unbiased quantum Monte Carlo method. In contrast to the previous study[P. Sengupta {\it et. al.}, Phys. Rev. Lett. {\bf 94}, 207202 (2005)], we present the ground-state phase diagrams up to large hopping parameters. As a result, in addition to the known supersolid above half-filling, we find supersolid even below and at half-filling for large hopping parameters. Furthermore, for the strong nearest-neighbor repulsion, we show that the supersolid phase occupies a remarkably broad region in the phase diagram. The results are in qualitative agreement with that obtained by the Gutzwiller mean-field approximation[M. Iskin, Phys. Rev. A {\bf 83}, 051606(R) (2011) and T. Kimura, Phys. Rev. A {\bf 84}, 063630 (2011)].

cond-mat.quant-gas↗

arXiv2012

Commensurate Supersolid of Three-Dimensional Lattice Bosons

Using an unbiased quantum Monte Carlo method, we obtain convincing evidence of the existence of a checkerboard supersolid at a {\it commensurate} filling factor 1/2 (commensurate supersolid) in the soft-core Bose-Hubbard model with nearest-neighbor repulsions on a cubic lattice. In conventional cases, supersolids are realized at incommensurate filling factors by a doped-defect-condensation mechanism, where particles (holes) doped into a perfect crystal act as interstitials (vacancies) and delocalize in the crystal order. However, in the above model, a supersolid state is stabilized even at the commensurate filling factor 1/2 {\it without doping}. By performing grand canonical simulations, we obtain a ground-state phase diagram that suggests the existence of a supersolid at a commensurate filling. To obtain direct evidence of the commensurate supersolid, we next perform simulations in canonical ensembles at a particle density $ρ=1/2$ and exclude the possibility of phase separation. From the obtained snapshots, we discuss the microscopic structure and observe that interstitial-vacancy pairs are unbound in the crystal order.

cond-mat.quant-gas↗

arXiv2011

Novel Mechanism of Supersolid of Ultracold Polar Molecules in Optical Lattices

We study the checkerboard supersolid of the hard-core Bose-Hubbard model with the dipole-dipole interaction. This supersolid is different from all other supersolids found in lattice models in the sense that superflow paths through which interstitials or vacancies can hop freely are absent in the crystal. By focusing on repulsive interactions between interstitials, we reveal that the long-range tail of the dipole-dipole interaction have the role of increasing the energy cost of domain wall formations. This effect produces the supersolid by the second-order hopping process of defects. We also perform exact quantum Monte Carlo simulations and observe a novel double peak structure in the momentum distribution of bosons, which is a clear evidence for supersolid. This can be measured by the time-of-flight experiment in optical lattice systems.

cond-mat.quant-gas↗

arXiv2010

Quantum Monte Carlo method for pairing phenomena: Super-counter-fluid of two-species Bose gases in optical lattices

We study the super-counter-fluid(SCF) states in the two-component hardcore Bose-Hubbard model on the square lattice, using the quantum Monte Carlo method based on the worm(directed loop) algorithm. Since the SCF state is a state of a pair-condensation characterized by $< a^{\dagger} b > \neq 0, < a > = 0$, and $< b > = 0$, where $a$ and $b$ are the order parameters of the two components, it is important to study behaviors of the pair-correlation function $< a_{i} b_{i}^{\dagger} a_{j}^{\dagger} b_{j} >$. For this purpose, we propose a choice of the worm head for calculating the pair-correlation function. From this pair-correlation, we confirm the Kosterlitz-Thouless(KT) charactor of the SCF phase. The simulation efficiency is also improved in the SCF phase.

cond-mat.quant-gas↗