Related papers: Krylov-projected quantum Monte Carlo
The calculation of excited state energies of electronic structure Hamiltonians has many important applications, such as the calculation of optical spectra and reaction rates. While low-depth quantum algorithms, such as the variational…
The implementation and reliability of a quadratic diffusion Monte Carlo method for the study of ground-state properties of atoms are discussed. We show in the simple yet non-trivial calculation of the binding energy of the Li atom that the…
Applying the thermo field dynamics, we reformulate exact quantum number projection in the finite-temperature Hartree-Fock-Bogoliubov theory. Explicit formulae are derived for the simultaneous projection of particle number and angular…
We report quantum Monte Carlo calculations of ground and low-lying excited states for nuclei with A \leq 7 using a realistic Hamiltonian containing the Argonne v18 two-nucleon and Urbana IX three-nucleon potentials. A detailed description…
Quantum Monte Carlo (QMC) is an advanced simulation methodology for studies of manybody quantum systems. In this review, we focus on the electronic structure QMC, i.e., methods relevant for systems described by the electron-ion…
We extend Quantum Computing Quantum Monte Carlo (QCQMC) beyond ground-state energy estimation by systematically constructing the quantum circuits used for state preparation. Replacing the original Variational Quantum Eigensolver (VQE)…
A generalization to the quantum case of a recently introduced algorithm (Y. Tomita and Y. Okabe, Phys. Rev. Lett. {\bf 86}, 572 (2001)) for the determination of the critical temperature of classical spin models is proposed. We describe a…
The efficient calculation of Hamiltonian spectra, a problem often intractable on classical machines, can find application in many fields, from physics to chemistry. Here, we introduce the concept of an "eigenstate witness" and through it…
We study thermalization in closed non-integrable quantum systems using the Krylov basis. We demonstrate that for thermalization to occur, the matrix representation of typical local operators in the Krylov basis should exhibit a specific…
This paper investigates the notion of Krylov complexity, a measure of operator growth, within the framework of 1-matrix quantum mechanics (1-MQM). Krylov complexity quantifies how an operator evolves over time by expanding it in a series of…
The Monte Carlo Hamiltonian method developed recently allows to investigate ground state and low-lying excited states of a quantum system, using Monte Carlo algorithm with importance sampling. However, conventional MC algorithm has some…
It has become increasingly feasible to use quantum Monte Carlo (QMC) methods to study correlated fermion systems for realistic Hamiltonians. We give a summary of these techniques targeted at researchers in the field of correlated electrons,…
Variational methods are used to calculate structural and thermodynamical properties of a titrating polyelectrolyte in a discrete representation. The Coulomb interactions are emulated by harmonic repulsive forces, the force constants being…
The Quantum Monte Carlo method for spin 1/2 fermions at finite temperature is formulated for dilute systems with an s-wave interaction. The motivation and the formalism are discussed along with descriptions of the algorithm and various…
We propose a new projector quantum Monte-Carlo method to investigate the ground state of ultracold fermionic atoms modeled by a lattice Hamiltonian with on-site interaction. The many-body state is reconstructed from Slater determinants that…
In this work we investigate the ground state and the dissipative quantum dynamics of interacting charged particles in an external potential at finite temperature. The recently devised time-dependent quantum Monte Carlo (TDQMC) method allows…
Calculating the physical properties of quantum thermal states is a difficult problem for classical computers, rendering it intractable for most quantum many-body systems. A quantum computer, by contrast, would make many of these…
Many experimentally-accessible, finite-sized interacting quantum systems are most appropriately described by the canonical ensemble of statistical mechanics. Conventional numerical simulation methods either approximate them as being coupled…
The development of novel quantum many-body computational algorithms relies on robust benchmarking. However, generating such benchmarks is often hindered by the massive computational resources required for exact diagonalization or quantum…
We propose a protocol for effectively implementing complex-balanced thermalization via Markovian processes on a quantum-circuit platform that couples the system with engineered reservoir qubits. The non-orthogonality of qubit eigenstates…