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Hiromichi Nishimura

Publications and source records attributed to Hiromichi Nishimura.

At least 19 recordsLinked to original sources

Symmetry-based perturbation theory for electronic structure calculations

We develop a multi-reference perturbation theory for electronic structure calculations based on symmetries of the Hamiltonian. The reference Hamiltonian in the symmetry-based perturbation theory (SBPT) is chosen such that it possesses more symmetries than the original Hamiltonian, leading to a larger reduction of computational resources in terms of both the number of configurations in the configuration interaction expansion and the number of required qubits in quantum computing applications. We provide approximate, scalable solutions for the second-order correction, as well as an application to selected configuration interaction. We show that SBPT is an extension of other existing multi-reference perturbation theories and that it can give better results for some molecular systems in a robust way.

quant-ph

Quantum-centric simulation of hydrogen abstraction by sample-based quantum diagonalization and entanglement forging

The simulation of electronic systems is an anticipated application for quantum-centric computers, i.e. heterogeneous architectures where classical and quantum processing units operate in concert. An important application is the computation of radical chain reactions, including those responsible for the photodegradation of composite materials used in aerospace engineering. Here, we compute the activation energy and reaction energy for hydrogen abstraction from 2,2-diphenyldipropane, used as a minimal model for a step in a radical chain reaction. Calculations are performed using a superconducting quantum processor of the IBM Heron family and classical computing resources. To this end, we combine a qubit-reduction technique called entanglement forging (EF) with sample-based quantum diagonalization (SQD), a method that projects the Schrödinger equation into a subspace of configurations sampled from a quantum device. In conventional quantum simulations, a qubit represents a spin-orbital. In contrast, EF maps a qubit to a spatial orbital, reducing the required number of qubits by half. We provide a complete derivation and a detailed description of the combined EF and SQD approach, and we assess its accuracy across active spaces of varying sizes upto (39e,39o).

quant-ph

End-to-End Complexity Analysis for Quantum Simulation of the Extended Jaynes-Cummings Models

The extended Jaynes-Cummings model (eJCM) is a foundational framework for describing multi-mode light-matter interactions, with direct applications in quantum technologies such as photon addition and quasi-noiseless amplification. However, the model's complexity makes classical simulation intractable for large systems that could be of practical interest. In this work, we present a comprehensive, end-to-end framework for the quantum simulation of the eJCM. We develop explicit quantum algorithms and circuits for simulating the system's time evolution using first and second-order product formulas, analyzing the dynamics in both the Schrodinger and interaction pictures. Our analysis includes rigorous, closed-form error bounds that guide the choice of simulation parameters, and we extend the methodology to efficiently handle both pure and mixed quantum states. Furthermore, we validate our theoretical cost models with numerical simulations and provide a detailed fault-tolerant resource analysis, compiling the simulation circuits for a surface-code architecture to yield concrete estimates for physical qubit counts and execution times. This work establishes a complete roadmap for simulating the eJCM on future quantum computers.

quant-ph

Resurgence and semiclassical expansion in two-dimensional large-$N$ sigma models

The resurgence structure of the 2d $O(N)$ sigma model at large $N$ is studied with a focus on an IR momentum cutoff scale $a$ that regularizes IR singularities in the semiclassical expansion. Transseries expressions for condensates and correlators are derived as series of the dynamical scale $Λ$ (nonperturbative exponential) and coupling $λ_μ$ renormalized at the momentum scale $μ$. While there is no ambiguity when $a > Λ$, we find for $a < Λ$ that the nonperturbative sectors have new imaginary ambiguities besides the well-known renormalon ambiguity in the perturbative sector. These ambiguities arise as a result of an analytic continuation of transseries coefficients to small values of the IR cutoff $a$ below the dynamical scale $Λ$. We find that the imaginary ambiguities are cancelled each other when we take all of them into account. By comparing the semiclassical expansion with the transseries for the exact large-$N$ result, we find that some ambiguities vanish in the $a \rightarrow 0$ limit and hence the resurgence structure changes when going from the semiclassical expansion to the exact result with no IR cutoff. An application of our approach to the ${\mathbb C}P^{N-1}$ sigma model is also discussed. We find in the compactified model with the ${\mathbb Z}_N$ twisted boundary condition that the resurgence structure changes discontinuously as the compactification radius is varied.

hep-th

Deconfinement and CP-breaking at $θ=π$ in Yang-Mills theories and a novel phase for SU(2)

We discuss the deconfinement and the CP-breaking phase transitions at $θ=π$ in Yang-Mills theories. The 't Hooft anomaly matching prohibits the confined phase with CP symmetry and requires $T_{dec}(θ=π) \le T_{CP}$, where $T_{dec}(θ=π)$ and $T_{CP}$ denote the deconfinement and the CP-restoration temperatures, respectively, at $θ=π$. We analytically study these two phase transitions in softly-broken $\mathcal{N}=1$ supersymmetric Yang-Mills theories on small $\mathbb{R}^3\times S^1$ with the periodic boundary condition for gluinos. For most gauge groups except SU(2) in this model, we find that the inequality is saturated, so deconfinement and CP restoration occur simultaneously. We demonstrate special features of the SU(2) gauge theory: There is a finite window of two temperatures, $T_{dec}(π)<T_{CP}$, which indicates the existence of a novel CP-broken deconfined phase. We also discuss an implication of the novel phase for domain walls and their junctions.

hep-th

Conundrum for the free energy of a holonomous gluonic plasma at cubic order

We compute the term $\sim g^3$ in the free energy for a $SU(N)$ gauge theory with nonzero holonomy at nonzero temperature. If the holonomy is generated kinematically by the introduction of gauge invariant sources coupled to Polyakov loops, the contribution of charged (off-diagonal) gluons to the free energy at order $g^3$, ${\cal F}^{\left( 3\rm{:c.g.} \right)}$, is singular: ${\cal F}^{\left( 3\rm{:c.g.} \right)} \neq 0 $ without holonomy, but ${\cal F}^{\left( 3 \rm{:c.g.} \right)}= 0$ when the holonomy is nonzero, even infinitesimally. We show that the absence of the charged gluon contribution is required by gauge invariance alone and is therefore a universal feature.

hep-th

Free energy of a Holonomous Plasma

At a nonzero temperature T, a constant field $\overline{A}_0 \sim T/g$ generates nontrivial eigenvalues of the thermal Wilson line. We discuss contributions to the free energy of such a holonomous plasma when the coupling constant, $g$, is weak. We review the computation to $\sim g^2$ by several alternate methods, and show that gauge invariant sources, which are nonlinear in the gauge potential $A_0$, generate novel contributions to the gluon self energy at $\sim g^2$. These ensure the gluon self energy remains transverse to $\sim g^2$, and are essential in computing contributions to the free energy at $\sim g^3$ for small holonomy, $\overline{A}_0 \sim T$. We show that the contribution $\sim g^3$ from off-diagonal gluons is discontinuous as the holonomy vanishes. The contribution from diagonal gluons is continuous as the holonomy vanishes, but sharply constrains the possible sources which generate nonzero holonomy, and must involve an infinite number of Polyakov loops.

hep-ph

High-temperature domain walls of QCD with imaginary chemical potentials

We study QCD with massless quarks on $\mathbb{R}^3\times S^1$ under symmetry-twisted boundary conditions with small compactification radius, i.e. at high temperatures. Under suitable boundary conditions, the theory acquires a part of the center symmetry and it is spontaneously broken at high temperatures. We show that these vacua at high temperatures can be regarded as different symmetry-protected topological orders, and the domain walls between them support nontrivial massless gauge theories as a consequence of anomaly-inflow mechanism. At sufficiently high temperatures, we can perform the semiclassical analysis to obtain the domain-wall theory, and $2$d $U(N_\mathrm{c}-1)$ gauge theories with massless fermions match the 't~Hooft anomaly. We perform these analysis for the high-temperature domain wall of $\mathbb{Z}_{N_\mathrm{c}}$-QCD and also of Roberge-Weiss phase transitions.

hep-th

Thermal effective potential for the Polyakov loop to higher loop order

This is a progress report on the calculation of the effective potential for the Polyakov loop in $SU(N)$ pure gauge theory beyond two-loop order. We introduce a new approach using the Poisson resummation formula to compute sum-integrals with the holonomy. We show partial results for the free energy at order $g^3$ and $g^4$.

hep-th

Possible higher order phase transition in large-$N$ gauge theory at finite temperature

We analyze the phase structure of $SU(\infty)$ gauge theory at finite temperature using matrix models. Our basic assumption is that the effective potential is dominated by double-trace terms for the Polyakov loops. As a function of the temperature, a background field for the Polyakov loop, and a quartic coupling, it exhibits a universal structure: in the large portion of the parameter space, there is a continuous phase transition analogous to the third-order phase transition of Gross, Witten and Wadia, but the order of phase transition can be higher than third. We show that different confining potentials give rise to drastically different behavior of the eigenvalue density and the free energy. Therefore lattice simulations at large $N$ could probe the order of phase transition and test our results.

hep-th

Finite-temperature phase transitions of third and higher order in gauge theories at large $N$

We study phase transitions in $SU(\infty)$ gauge theories at nonzero temperature using matrix models. Our basic assumption is that the effective potential is dominated by double trace terms for the Polyakov loops. As a function of the various parameters, related to terms linear, quadratic, and quartic in the Polyakov loop, the phase diagram exhibits a universal structure. In a large region of this parameter space, there is a continuous phase transition whose order is larger than second. This is a generalization of the phase transition of Gross, Witten, and Wadia (GWW). Depending upon the detailed form of the matrix model, the eigenvalue density and the behavior of the specific heat near the transition differ drastically. We speculate that in the pure gauge theory, that although the deconfining transition is thermodynamically of first order, it can be nevertheless conformally symmetric at infinite $N$.

hep-th

Gradient flows without blow-up for Lefschetz thimbles

We propose new gradient flows that define Lefschetz thimbles and do not blow up in a finite flow time. We study analytic properties of these gradient flows, and confirm them by numerical tests in simple examples.

hep-lat

Liquid-Gas Phase Transitions and $\mathcal{CK}$ Symmetry in Quantum Field Theories

A general field-theoretic framework for the treatment of liquid-gas phase transitions is developed. Starting from a fundamental four-dimensional field theory at nonzero temperature and density, an effective three-dimensional field theory with a sign problem is derived. Although charge conjugation $\mathcal{C}$ is broken at finite density, there remains a symmetry under $\mathcal{CK}$, where $\mathcal{K}$ is complex conjugation. We consider four models: relativistic fermions, nonrelativistic fermions, static fermions and classical particles. The thermodynamic behavior is extracted from $\mathcal{CK}$-symmetric complex saddle points of the effective field theory at tree level. The relativistic and static fermions show a liquid-gas transition, manifesting as a first-order line at low temperature and high density, terminated by a critical end point. In the cases of nonrelativistic fermions and classical particles, we find no first-order liquid-gas transitions at tree level. The mass matrix controlling the behavior of correlation functions is obtained from fluctuations around the saddle points. Due to the $\mathcal{CK}$ symmetry of the models, the eigenvalues of the mass matrix can be complex. This leads to the existence of disorder lines, which mark the boundaries where the eigenvalues go from purely real to complex. The regions where the mass matrix eigenvalues are complex are associated with the critical line. In the case of static fermions, a powerful duality between particles and holes allows for the analytic determination of both the critical line and the disorder lines. Depending on the values of the parameters, either zero, one or two disorder lines are found. Numerical results for relativistic fermions give a very similar picture.

hep-th

Complex spectrum of spin models for finite-density QCD

We consider the spectrum of transfer matrix eigenvalues associated with Polyakov loops in lattice QCD at strong coupling. The transfer matrix at finite density is non-Hermitian, and its eigenvalues become complex as a manifestation of the sign problem. We show that the symmetry under charge conjugation and complex conjugation ensures that the eigenvalues are either real or part of a complex conjugate pair, and the complex pairs lead to damped oscillatory behavior in Polyakov loop correlation functions, which also appeared in our previous phenomenological models using complex saddle points. We argue that this effect should be observable in lattice simulations of QCD at finite density.

hep-lat

Complex spectrum of finite-density lattice QCD with static quarks at strong coupling

We calculate the spectrum of transfer matrix eigenvalues associated with Polyakov loops in finite-density lattice QCD with static quarks. These eigenvalues determine the spatial behavior of Polyakov loop correlations functions. Our results are valid for all values of the gauge coupling in $1+1$ dimensions, and valid in the strong-coupling region for any number of dimensions. When the quark chemical potential $μ$ is nonzero, the spatial transfer matrix $T_s$ is non-Hermitian. The appearance of complex eigenvalues in $T_s$ is a manifestation of the sign problem in finite-density QCD. The invariance of finite-density QCD under the combined action of charge conjugation $\mathcal{C}$ and complex conjugation $\mathcal{K}$ implies that the eigenvalues of $T_s$ are either real or part of a complex pair. Calculation of the spectrum confirms the existence of complex pairs in much of the temperature-chemical potential plane. Many features of the spectrum for static quarks are determined by a particle-hole symmetry. For $μ$ small compared to the quark mass $M$, we typically find real eigenvalues for the lowest lying states. At somewhat larger values of $μ,$ pairs of eigenvalues may form complex-conjugate pairs, leading to damped oscillatory behavior in Polyakov loop correlation functions. However, near $μ=M$, the low-lying spectrum becomes real again. This is a direct consequence of the approximate particle-hole symmetry at $μ=M$ for heavy quarks. This behavior of the eigenvalues should be observable in lattice simulations and can be used as a test of lattice algorithms. Our results provide independent confirmation of results we have previously obtained in PNJL models using complex saddle points.

hep-lat

Scalar field collapse with negative cosmological constant

The formation of black holes or naked singularities is studied in a model in which a homogeneous time-dependent scalar field with an exponential potential couples to four dimensional gravity with negative cosmological constant. An analytic solution is derived and its consequences are discussed. The model depends only on one free parameter, which determines the equation of state and decides the fate of the spacetime. Without fine tuning the value of this parameter the collapse ends in a generic formation of a black hole or a naked singularity. The latter case violates the cosmic censorship conjecture.

gr-qc

Evading the sign problem in the mean-field approximation through Lefschetz-thimble path integral

The fermion sign problem appearing in the mean-field approximation is considered, and the systematic computational scheme of the free energy is devised by using the Lefschetz-thimble method. We show that the Lefschetz-thimble method respects the reflection symmetry, which makes physical quantities manifestly real at any order of approximations using complex saddle points. The formula is demonstrated through the Airy integral as an example, and its application to the Polyakov-loop effective model of dense QCD is discussed in detail.

hep-th

Gravitational collapse of thin shells: Time evolution of the holographic entanglement entropy

We study the dynamics of gravitationally collapsing massive shells in AdS spacetime, and show in detail how one can determine extremal surfaces traversing them. The results are used to solve the time evolution of the holographic entanglement entropy in strongly coupled dual conformal gauge theory, which is is seen to exhibit a regime of linear growth independent of the shape of the boundary entangling region and the equation of state of the shell. Our exact results are finally compared to those of two commonly used approximation schemes, the Vaidya metric and the quasistatic limit, whose respective regions of validity are quantitatively determined.

hep-th