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The prediction of electronic structure for strongly correlated molecules represents a promising application for near-term quantum computers. Significant attention has been paid to ground state wavefunctions, but excited states of molecules…

Quantum Physics · Physics 2025-01-08 Harper R. Grimsley , Francesco A. Evangelista

A milestone in the field of quantum computing will be solving problems in quantum chemistry and materials faster than state-of-the-art classical methods. The current understanding is that achieving quantum advantage in this area will…

Quantum Physics · Physics 2023-11-08 Guoming Wang , Daniel Stilck França , Ruizhe Zhang , Shuchen Zhu , Peter D. Johnson

We construct classical algorithms computing an approximation of the ground state energy of an arbitrary $k$-local Hamiltonian acting on $n$ qubits. We first consider the setting where a good ``guiding state'' is available, which is the main…

Quantum Physics · Physics 2025-07-08 François Le Gall

We use special quadrature formulas for singular and hypersingular integral to numerically solve the Schr\"{o}dinger equation in momentum space with the linear confinement potential, Coulomb and Cornell potentials. It is shown that the…

High Energy Physics - Phenomenology · Physics 2020-01-03 Viktor Andreev

We consider ground states of the $N$ coupled fermionic nonlinear Schr\"{o}dinger systems with the Coulomb potential $V(x)$ in the $L^2$-subcritical case. By studying the associated constraint variational problem, we prove the existence of…

Mathematical Physics · Physics 2024-05-21 Bin Chen , Yujin Guo

This paper reviews the construction of quantum field theory on a 4-dimensional spacetime by combinatorial methods, and discusses the recent developments in the direction of a combinatorial construction of quantum gravity.

General Relativity and Quantum Cosmology · Physics 2007-05-23 John W. Barrett

A new supersymmetry method for the generation of the quasi-exactly solvable (QES) potentials with two known eigenstates is proposed. Using this method we obtained new QES potentials for which we found in explicit form the energy levels and…

Quantum Physics · Physics 2009-10-31 V. M. Tkachuk

We introduce Superstate Quantum Mechanics (SQM), a theory that considers states in Hilbert space subject to multiple quadratic constraints, with ``energy'' also expressed as a quadratic function of these states. Traditional quantum…

A technique to reconstruct one-dimensional, reflectionless potentials and the associated quantum wave functions starting from a finite number of known energy spectra is discussed. The method is demonstrated using spectra that scale like the…

Quantum Physics · Physics 2014-07-04 Thomas D. Gutierrez

Significant effort in applied quantum computing has been devoted to the problem of ground state energy estimation for molecules and materials. Yet, for many applications of practical value, additional properties of the ground state must be…

Quantum Physics · Physics 2022-07-13 Ruizhe Zhang , Guoming Wang , Peter Johnson

We present a study of the two dimensional circular quantum dot model Hamiltonian using a range of quantum chemical ab initio methods. Ground and excited state energies are computed on different levels of perturbation theories including the…

Chemical Physics · Physics 2022-03-23 Faruk Salihbegović , Alejandro Gallo , Andreas Grüneis

We develop analytical gradients of ground- and excited-state energies with respect to system parameters including the nuclear coordinates for the hybrid quantum/classical multistate contracted variational quantum eigensolver (MC-VQE)…

Quantum Physics · Physics 2021-10-12 Robert M. Parrish , Gian-Luca R. Anselmetti , Christian Gogolin

Variational Quantum Eigensolver (VQE) provides a lucrative platform to determine molecular energetics in near-term quantum devices. While the VQE is traditionally tailored to determine the ground state wavefunction with the underlying…

Quantum Physics · Physics 2023-08-22 Dibyendu Mondal , Rahul Maitra

We present a method to numerically obtain low-energy effective models based on a unitary transformation of the ground state. The algorithm finds a unitary circuit that transforms the ground state of the original model to a projected…

Strongly Correlated Electrons · Physics 2025-07-23 Shengtao Jiang , Steven R. White

Based on the fact that the Hamiltonians of the Coulomb many-particle systems are always factorized we develop the two different approaches for analytical solution of the Schr\"{o}dinger equation written for arbitrary few- and many-particle…

Atomic Physics · Physics 2018-10-17 Alexei M. Frolov

The variational approach to Yang-Mills theory in Coulomb gauge is extended to full QCD. For the quark sector we use a trial wave functional, which goes beyond the previously used BCS-type state and which explicitly contains the coupling of…

High Energy Physics - Phenomenology · Physics 2014-03-11 M. Pak , H. Reinhardt

A procedure is described for efficiently finding the ground state energy and configuration for a Frenkel-Kontorova model in a periodic potential, consisting of N parabolic segments of identical curvature in each period, through a numerical…

Statistical Mechanics · Physics 2009-10-30 T. Scheidsteger , H. Urbschat , R. B. Griffiths , H. J. Schellnhuber

We construct a new phase-field model for the solvation of charged molecules with a variational implicit solvent. Our phase-field free-energy functional includes the surface energy, solute-solvent van der Waals dispersion energy, and…

Numerical Analysis · Mathematics 2017-12-07 Yanxiang Zhao , Yanping Ma , Hui Sun , Bo Li , Qiang Du

The use of a single-qubit parametrized circuit as an Ansatz for the variational wave function in the calculation of the ground state energy of a quantum many-body system is demonstrated using the one-dimensional Bose-Hubbard model.…

Quantum Physics · Physics 2024-06-14 R. M. Woloshyn

The large-distance dynamics in quarkonium systems is investigated, in the large N limit, through the saturation of Wilson loop averages by minimal surfaces. Using a representation for the quark propagator in the presence of the external…

High Energy Physics - Phenomenology · Physics 2015-06-25 F. Jugeau , H. Sazdjian