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相关论文: Variational Estimates using a Discrete Variable Re…

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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…

原子物理 · 物理学 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…

量子物理 · 物理学 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…

化学物理 · 物理学 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…

量子物理 · 物理学 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…

量子物理 · 物理学 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…

计算机视觉与模式识别 · 计算机科学 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…

高能物理 - 唯象学 · 物理学 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…

强关联电子 · 物理学 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…

强关联电子 · 物理学 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…

化学物理 · 物理学 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…

机器学习 · 计算机科学 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…

数值分析 · 数学 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…

高能物理 - 唯象学 · 物理学 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…

数学物理 · 物理学 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…

高能物理 - 唯象学 · 物理学 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.…

机器学习 · 计算机科学 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…

偏微分方程分析 · 数学 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…

计算物理 · 物理学 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…

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…

强关联电子 · 物理学 2021-05-26 Zhengqian Cheng , Chris A. Marianetti
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