相关论文: Fast Semistochastic Heat-Bath Configuration Intera…
The ground state energy of a many-electron system can be approximated by an variational approach in which the total energy of the system is minimized with respect to one and two-body reduced density matrices (RDM) instead of many-electron…
A method is suggested to build simple multiconfigurational wave functions specified uniquely by an energy cutoff $\Lambda$. These are constructed from a model space containing determinants with energy relative to that of the most stable…
A trajectory segment in an energy shell, which combines to form a closed curve with a segment in another canonically driven energy shell, adds an oscillatory semiclassical contribution to the smooth classical background of the quantum…
We study chaotic many-body quantum dynamics in a minimal model with spatial structure and local interactions. It has a time-independent Hamiltonian, in contrast to quantum circuits and Brownian models, and is simple at the single-site…
A second-order many-body perturbation correction to the relativistic Dirac-Hartree-Fock energy is evaluated stochastically by integrating 13-dimensional products of four-component spinors and Coulomb potentials. The integration in the real…
The simulation of strongly correlated many-electron systems is one of the most promising applications for near-term quantum devices. Here we use a class of eigenvalue solvers (presented in Phys. Rev. Lett. 126, 070504 (2021)) in which a…
Inspired by our earlier semi-stochastic work aimed at converging high-level coupled-cluster (CC) energetics [J. E. Deustua, J. Shen, and P. Piecuch, Phys. Rev. Lett. 119, 223003 (2017); J. Chem. Phys. 154, 124103 (2021)], we propose a novel…
For the calculation of the partition function $\mathcal{Z}$ of small, isolated and interacting many body systems an improvement with respect to previous formulations is presented. By including anharmonicities and employing a variational…
We design a quantum thermal device that can simultaneously and dynamically cool multiple target qubits. Using a setup with three bosonic heat baths, we propose an engineering of interaction Hamiltonian using operators on different subspaces…
We analyze the heating of interacting bosonic atoms in an optical lattice due to intensity fluctuations of the lasers forming the lattice. We focus in particular on fluctuations at low frequencies below the band gap frequency, such that the…
We present a comparison of different numerical techniques for the integration of variational equations. The methods presented can be applied to any autonomous Hamiltonian system whose kinetic energy is quadratic in the generalized momenta,…
The hierarchical equations of motion (HEOM) approach is an accurate method to simulate open system quantum dynamics, which allows for systematic convergence to numerically exact results. To represent the effects of the bath, the reservoir…
Full configuration interaction (FCI) solvers are limited to small basis sets due to their expensive computational costs. An optimal orbital selection for FCI (OptOrbFCI) is proposed to boost the power of existing FCI solvers to pursue the…
We develop a diagrammatic approach for solving few-body problems in heteronuclear fermionic mixtures near a narrow interspecies Feshbach resonance. We calculate s-, p-, and d-wave phaseshifts for the scattering of an atom by a weakly-bound…
Even when starting with a very poor initial guess, the iterative configuration interaction (iCI) approach can converge from above to full CI very quickly by constructing and diagonalizing a small Hamiltonian matrix at each…
In this letter we study the interaction energy in a mixture of Bose and Fermi superfluids realized in recent cold atom experiment. On the Bose-Einstein-condensate (BEC) side of a Feshbach resonance between fermionic atoms, this interaction…
Aquatic locomotion is a classic fluid-structure interaction (FSI) problem of interest to biologists and engineers. Solving the fully coupled FSI equations for incompressible Navier-Stokes and finite elasticity is computationally expensive.…
We calculate two-body scattering phase shifts on a quantum computer using a leading order short-range effective field theory Hamiltonian. The algorithm combines the variational quantum eigensolver and the quantum subspace expansion. As an…
A number of non-Markovian stochastic Schr\"odinger equations, ranging from the numerically exact hierarchical form towards a series of perturbative expressions sequentially presented in an ascending degrees of approximations are revisited…
We employ \textit{ab initio} methods of quantum chemistry to investigate spin-1/2 fermions interacting via a two-body contact potential in a one-dimensional harmonic trap. The convergence of the total energy with the size of the…