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Using the framework of semi-classical Landau-Lifshitz dynamics (LLD), we conduct a systematic investigation of the temperature-dependent spin dynamics in the S = 1/2 Heisenberg square-lattice antiferromagnet (SqAF). By performing inelastic…

We present a rigorous and efficient approach to the calculation of classical lattice-dynamical quantities from simulations that do not require an explicit solution of the time evolution. We focus on the temperature-dependent vibrational…

Materials Science · Physics 2013-03-14 Mathias P. Ljungberg , Jorge Íñiguez

We perform excited-state variational Monte Carlo and diffusion Monte Carlo calculations using a simple and efficient wave function ansatz. This ansatz follows the recent variation-after-response formalism, accurately approximating a…

Strongly Correlated Electrons · Physics 2018-12-24 Nick S. Blunt , Eric Neuscamman

A prominent feature of quantum spin liquids is fractionalization of the spin degree of freedom. Fractionalized excitations have their own dynamics in different energy scales, and hence, affect finite-temperature ($T$) properties in a…

Strongly Correlated Electrons · Physics 2017-08-04 Junki Yoshitake , Joji Nasu , Yasuyuki Kato , Yukitoshi Motome

As a phase space language for quantum mechanics, the Wigner function approach bears a close analogy to classical mechanics and has been drawing growing attention, especially in simulating quantum many-body systems. However, deterministic…

Computational Physics · Physics 2016-11-30 Yunfeng Xiong , Zhenzhu Chen , Sihong Shao

A theory of temperature dynamics in many-body systems driven by time-dependent external sources is introduced. The formalism based on the combination of the perturbation theory and the fluctuational-electrodynamics approach in many-body…

Mesoscale and Nanoscale Physics · Physics 2021-07-14 Alireza Naeimi , Moladad Nikbakht

We propose a systematic approach to the basis set extension for nonadiabatic dynamics of entangled combination of nuclear coherent states (CSs) evolving according to the time-dependent variational principle (TDVP). TDVP provides a rigorous…

Chemical Physics · Physics 2017-03-14 Artur F. Izmaylov , Loïc Joubert-Doriol

We introduce a general technique to compute finite temperature electronic properties by a novel covariant formulation of the electronic partition function. By using a rigorous variational upper bound to the free energy we are led to the…

Strongly Correlated Electrons · Physics 2013-06-19 Guglielmo Mazzola , Andrea Zen , Sandro Sorella

Charge-transfer excited states are highly relevant for applications in molecular electronics. However, the accurate calculation of these states in large systems is challenging since wave function methods are prohibitively expensive,…

Chemical Physics · Physics 2025-05-20 Nicola Bogo , Zeyi Zhang , Martin Head-Gordon , Christopher J. Stein

An increase in the efficiency of sampling from Boltzmann distributions would have a significant impact on deep learning and other machine-learning applications. Recently, quantum annealers have been proposed as a potential candidate to…

Quantum Physics · Physics 2016-08-17 Marcello Benedetti , John Realpe-Gómez , Rupak Biswas , Alejandro Perdomo-Ortiz

We consider the time-dependent thermal pure quantum state method and introduce the efficient scheme to evaluate the change in physical quantities induced by the time-dependent perturbations, which has been proposed in our previous paper [H.…

Strongly Correlated Electrons · Physics 2022-10-13 H. Taguchi , A. Koga , Y. Murakami

We present an new approach for the ferromagnetic, three-dimensional, translational-symmetric Kondo lattice model which allows us to derive both magnon energies and linewidths (lifetimes) and to study the properties of the ferromagnetic…

Strongly Correlated Electrons · Physics 2009-12-14 A. Schwabe , W. Nolting

The temperature scaling of the micromagnetic Dzyaloshinsky-Moriya exchange interaction is calculated for the whole range of temperature. We use Green's function theory to derive the finite-temperature spin wave spectrum of ferromagnetic…

Other Condensed Matter · Physics 2017-10-04 Levente Rózsa , Unai Atxitia , Ulrich Nowak

We develop a variational perturbation expansion around dynamical mean-field theory (DMFT) that systematically incorporates nonlocal correlations beyond the local correlations treated by DMFT. We apply this approach to investigate how the…

Strongly Correlated Electrons · Physics 2025-10-24 Yueyi Wang , Kristjan Haule

We present the exact numerical solutions for the Schwinger-Dyson equations at finite temperature with general gauge in Abelian gauge theory. We then study the chiral phase transition on temperature from the obtained solutions. We find that,…

High Energy Physics - Phenomenology · Physics 2015-08-17 Hiroaki Kohyama

Metastable condensed matter typically fluctuates about local energy minima at the femtosecond time scale before transitioning between local minima after nanoseconds or microseconds. This vast scale separation limits the applicability of…

Computational Physics · Physics 2017-11-22 Brittan A Farmer , Mitchell Luskin , Petr Plecháč , Gideon Simpson

A dynamic mean-field theory for spin ensembles (spinDMFT) at infinite temperatures on arbitrary lattices is established. The approach is introduced for an isotropic Heisenberg model with $S = \tfrac12$ and external field. For large…

Statistical Mechanics · Physics 2022-02-03 Timo Gräßer , Philip Bleicker , Dag-Björn Hering , Mohsen Yarmohammadi , Götz S. Uhrig

Adaptive Variational Quantum Dynamics (AVQD) algorithms offer a promising approach to providing quantum-enabled solutions for systems treated within the purview of open quantum dynamical evolution. In this study, we employ the unrestricted…

Quantum Physics · Physics 2024-03-13 Saurabh Shivpuje , Manas Sajjan , Yuchen Wang , Zixuan Hu , Sabre Kais

We construct and solve a "minimal model" with which nonequilibrium phenomena in many-body open quantum systems can be studied analytically under time-dependent parameter changes in the system and/or the bath. Coupling a suitable…

Quantum Physics · Physics 2025-07-28 Emma C. King , Michael Kastner , Johannes N. Kriel

A variational method for computing conformational properties of molecules with Lennard-Jones potentials for the monomer-monomer interactions is presented. The approach is tailored to deal with angular degrees of freedom, {\it rotors}, and…

chem-ph · Physics 2016-08-31 Carsten Peterson , Ola Sommelius , Bo Söderberg