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The systems with small binding energies and widely distributed in space bound-state wave functions are considered. Because the interaction potential is weak and rather localized compared to the characteristic sizes of wave functions of…

Atomic Physics · Physics 2021-07-07 V. A. Timoshenko , E. A. Yarevsky

We present a fault-tolerant quantum algorithm for implementing the Discrete Variable Representation (DVR) transformation, a technique widely used in simulations of quantum-mechanical Hamiltonians. DVR provides a diagonal representation of…

Quantum Physics · Physics 2025-04-23 Szymon Pliś , Emil Zak

We discuss the application of the Discrete Variable Representation to Schr\"odinger problems which involve singular Hamiltonians. Unlike recent authors who invoke transformations to rid the eigenvalue equation of singularities at the cost…

Chemical Physics · Physics 2007-05-23 Barry I. Schneider , Nicolai Nygaard

While quantum computing algorithms have been widely applied for electronic structure calculations, applications to molecular dynamics remain scarce. Complex and varied landscapes of molecular potential energy surfaces give rise to…

Quantum Physics · Physics 2026-04-02 K. Asnaashari , D. Bondarenko , R. V. Krems

Given the prevalence of superconducting platforms for uses in quantum computing and quantum sensing, the simulation of quantum superconducting circuits has become increasingly important for identifying system characteristics and modeling…

Quantum Physics · Physics 2026-03-09 Brittany Richman , C. J. Lobb , Jacob M. Taylor

Visible (VIS) to near infrared (NIR) face matching is a challenging problem due to the significant domain discrepancy between the domains and a lack of sufficient data for training cross-modal matching algorithms. Existing approaches…

Computer Vision and Pattern Recognition · Computer Science 2019-01-24 Xiang Wu , Huaibo Huang , Vishal M. Patel , Ran He , Zhenan Sun

The Schr\"odinger equation is solved numerically for charmonium using the discrete variable representation (DVR) method. The Hamiltonian matrix is constructed and diagonalized to obtain the eigenvalues and eigenfunctions. Using these…

High Energy Physics - Phenomenology · Physics 2021-08-02 Bhaghyesh

Variational methods are of fundamental importance and widely used in theoretical physics, especially for strongly interacting systems. In this work, we present a set of variational equations of state (VES) for pure states of an interacting…

Strongly Correlated Electrons · Physics 2023-07-04 Wenxin Ding

In this contribution, we discuss the finite-element discrete variable representation (FE-DVR) of the nonequilibrium Green's function and its implications on the description of strongly inhomogeneous quantum systems. In detail, we show that…

Strongly Correlated Electrons · Physics 2015-05-14 Karsten Balzer , Sebastian Bauch , Michael Bonitz

The correlation discrete variable representation (CDVR) enables efficient quantum dynamics calculation with the multi-layer multi-configurational time-dependent Hartree (MCTDH) approach on general potential energy surfaces. It employs a…

Chemical Physics · Physics 2026-05-07 Uwe Manthe

We consider the problem of sufficient dimensionality reduction (SDR), where the high-dimensional observation is transformed to a low-dimensional sub-space in which the information of the observations regarding the label variable is…

Machine Learning · Computer Science 2018-12-20 Ershad Banijamali , Amir-Hossein Karimi , Ali Ghodsi

Diffusive representations of fractional derivatives have proven to be useful tools in the construction of fast and memory efficient numerical methods for solving fractional differential equations. A common challenge in many of the known…

Numerical Analysis · Mathematics 2022-04-11 Kai Diethelm

The representation of the usual integral dispersion relations (IDR) of scattering theory through series of derivatives of the amplitudes is discussed, extended, simplified, and confirmed as mathematical identities. Forms of derivative…

High Energy Physics - Phenomenology · Physics 2008-11-26 Erasmo Ferreira , Javier Sesma

This hybrid method (FE-DVR), introduced by Resigno and McCurdy, Phys. Rev. A 62, 032706 (2000), uses Lagrange polynomials in each partition, rather than "hat" functions or Gaussian functions. These polynomials are discrete variable…

Mathematical Physics · Physics 2015-06-12 Joseph Power , George Rawitscher

Besides perturbation theory (which clearly requires the knowledge of the exact unperturbed solution), variational techniques represent the main tool for any investigation of the eigenvalue problem of some semibounded operator H in quantum…

High Energy Physics - Phenomenology · Physics 2009-10-31 Wolfgang Lucha , Franz F. Schoberl

Recent successes in image generation, model-based reinforcement learning, and text-to-image generation have demonstrated the empirical advantages of discrete latent representations, although the reasons behind their benefits remain unclear.…

Machine Learning · Computer Science 2023-07-27 David Friede , Christian Reimers , Heiner Stuckenschmidt , Mathias Niepert

The aim of this paper is the derivation of structure preserving schemes for the solution of the EPDiff equation, with particular emphasis on the two dimensional case. We develop three different schemes based on the Discrete Variational…

Analysis of PDEs · Mathematics 2016-04-26 Stig Larsson , Takayasu Matsuo , Klas Modin , Matteo Molteni

We have been calculated the ground state charge densities and energies of noble gas atoms through a single time dependent quantum fluid Schr$\ddot{o}$dinger equation. By using imaginary - time, the Schr$\ddot{o}$dinger equation has been…

Computational Physics · Physics 2018-10-03 D. Naranchimeg , L. Khenmedekh , G. Munkhsaikhan , N. Tsogbadrakh

Discrete variational methods show excellent performance in numerical simulations of mechanical systems. In this paper, we adapt discrete variational integrators for the case of mechanical systems with double-bracket dissipation. In…

Numerical Analysis · Mathematics 2026-04-30 Anthony Bloch , Sebastián J. Ferraro , David Martín de Diego , Shreyas Bharadwaj

Here we propose the Variational Discrete Action Theory (VDAT) to study the ground state properties of quantum many-body Hamiltonians. VDAT is a variational theory based on the sequential product density matrix (SPD) ansatz, characterized by…

Strongly Correlated Electrons · Physics 2021-05-26 Zhengqian Cheng , Chris A. Marianetti
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