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Building on recent advances in quantum algorithms which measure and reuse qubits and in efficient classical simulation leveraging projective measurements, we extend these frameworks to real-time dynamics of quantum many-body systems…

Quantum Physics · Physics 2025-12-08 Bo Xiao , Benedikt Kloss , E. Miles Stoudenmire

A framework for simulating the real-time dynamics of composite particles in a simple model of dense matter that is amenable to quantum computers is developed. As a demonstration, we perform classical simulations of heavy-hadrons propagating…

Quantum Physics · Physics 2025-01-22 Roland C. Farrell , Marc Illa , Martin J. Savage

Density functional theory (DFT) has emerged as one of the most versatile and lucrative approaches in electronic structure calculations of many-electron systems in past four decades. Here we give an account of the development of a…

Chemical Physics · Physics 2019-04-19 Abhisek Ghosal , Amlan K. Roy

A numerical method is developed for calculating the real time Green's functions of very large sparse Hamiltonian matrices, which exploits the numerical solution of the inhomogeneous time-dependent Schroedinger equation. The method has a…

Computational Physics · Physics 2007-05-23 Toshiaki Iitaka

Multiscale problems are computationally costly to solve by direct simulation because the smallest scales must be represented over a domain determined by the largest scales of the problem. We have developed and analyzed new numerical methods…

Numerical Analysis · Mathematics 2011-11-11 Björn Engquist , Henrik Holst , Olof Runborg

We establish the existence and uniqueness of strong solutions, in both the PDE and probabilistic sense, for a broad class of nonlinear stochastic partial differential equations (SPDEs) on a bounded domain $\mathscr{O}\subset \mathbb{R}^d$…

Analysis of PDEs · Mathematics 2025-12-16 Agus L. Soenjaya , Thanh Tran

Time-resolved spectroscopy is a powerful tool for probing electron dynamics in molecules and solids, revealing transient phenomena on sub-femtosecond timescales. The interpretation of experimental results is often enhanced by parallel…

Computational Physics · Physics 2025-05-02 Cian Reeves , Michael Kurniawan , Yuanran Zhu , Nikil Jampana , Jacob Brown , Chao Yang , Khaled Ibrahim , Vojtech Vlcek

In this paper, we investigate the effects of full electronic correlation on the high harmonic generation in the helium atom subjected to laser pulses of extremely high intensity. To do this, we perform real-time propagations of the helium…

Chemical Physics · Physics 2022-05-18 Aleksander P. Woźniak , Michał Przybytek , Maciej Lewenstein , Robert Moszyński

The Quantum-Electrodynamical Time-Dependent Density Functional Theory (QED-TDDFT) equations are solved by time propagating the wave function on a tensor product of a Fock-space and real-space grid. Applications for molecules in cavities…

Quantum Physics · Physics 2022-11-30 Justin Malave , Alexander Ahrens , Daniel Pitagora , Cody Covington , Kálmán Varga

We apply the thermodynamic Bethe Ansatz to investigate the high energy behaviour of a class of scattering matrices which have recently been proposed to describe the Homogeneous sine-Gordon models related to simply laced Lie algebras. A…

High Energy Physics - Theory · Physics 2014-11-18 O. A. Castro-Alvaredo , A. Fring , C. Korff , J. L. Miramontes

Coupled nonlinear Schr\"odinger equations model various physical phenomena, such as wave propagation in nonlinear optics, multi-component Bose-Einstein condensates, and shallow water waves. Despite their extensive applications, analytical…

Numerical Analysis · Mathematics 2024-07-29 Nate Lovett , Harish Bhatt

We speed up thermal simulations of quantum many-body systems in both one- (1D) and two-dimensional (2D) models in an exponential way by iteratively projecting the thermal density matrix $\hat\rho=e^{-\beta \hat{H}}$ onto itself. We refer to…

Strongly Correlated Electrons · Physics 2018-10-08 Bin-Bin Chen , Lei Chen , Ziyu Chen , Wei Li , Andreas Weichselbaum

Solutions of time-independent Schrodinger equation for potentials periodic in space satisfy Bloch theorem. The theorem has been used to obtain solutions of the Schrodinger equation for periodic systems by expanding them in terms of plane…

Computational Physics · Physics 2013-11-19 Manoj K. Harbola

Exact analytic solutions to the Schr\"odinger equation for an electron moving in three dimensional potentials have been studied. These solutions can correspond to metals, semiconductors, or insulators. We show that there is an efficient…

Materials Science · Physics 2015-03-19 Benjamin Kollmitzer , Peter Hadley

The gauging of equations method, introduced in the preceding paper, is applied to the four-dimensional integral equations describing the strong interactions of three identical relativistic particles. In this way we obtain gauge invariant…

Nuclear Theory · Physics 2009-10-31 A. N. Kvinikhidze , B. Blankleider

It is shown that the Schrodinger equation can be cast in the form of two coupled real conservation equations, in Euclidean spacetime in the free case and in a five-dimensional Eisenhart geometry in the presence of an external potential.…

Quantum Physics · Physics 2013-12-17 Peter Holland

In this paper, we study high-order exponential time differencing Runge-Kutta (ETD-RK) discontinuous Galerkin (DG) methods for nonlinear degenerate parabolic equations. This class of equations exhibits hyperbolic behavior in degenerate…

Numerical Analysis · Mathematics 2025-06-06 Ziyao Xu , Yong-Tao Zhang

A global solution of the Schr\"odinger equation, obtained recently within the wave operator formalism for explicitly time-dependent Hamiltonians [J. Phys. A: Math. Theor. 48, 225205 (2015)], is generalized to take into account the case of…

Quantum Physics · Physics 2016-04-20 Georges Jolicard , Arnaud Leclerc , David Viennot , John P. Killingbeck

A recently developed density functional method, within Hohenberg-Kohn-Sham framework, is used for faithful description of atoms, molecules in Cartesian coordinate grid, by using an LCAO-MO ansatz. Classical Coulomb potential is obtained by…

Chemical Physics · Physics 2013-07-16 Amlan K. Roy

Simulating large scale lattice dynamics directly is computationally demanding due to the high complexity involved, yet such simulations are crucial for understanding the mechanical and thermal properties of many physical systems. In this…

Quantum Physics · Physics 2025-04-09 Xiantao Li