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Time-dependent density functional theory is extended to include dissipative systems evolving under a master equation, providing a Hamiltonian treatment for molecular electronics. For weak electric fields, the isothermal conductivity is…

Materials Science · Physics 2007-05-23 Kieron Burke , Roberto Car , Ralph Gebauer

Time-Dependent Density Functional Theory is mathematically formulated through non-linear coupled time-dependent 3-dimensional partial differential equations and it is natural to expect a strong sensitivity of its solutions to variations of…

Statistical Mechanics · Physics 2022-04-06 Aurel Bulgac , Ibrahim Abdurrahman , Gabriel Wlazłowski

Complex-valued Feynman integrals in the imaginary time formalism and zero-temperature limit suffer from particular types of infrared divergences that can not be regulated by integration dimension alone. Related problems leading to…

High Energy Physics - Theory · Physics 2025-11-26 Mika Nurmela , Juuso Österman

A path integration formulation for the finite density and temperature problems is shown to be consistent with the thermodynamics using an 8 component ``real'' representation for the fermion fields by applying it to a free fermion system. A…

High Energy Physics - Theory · Physics 2007-05-23 S. Ying

We evaluate the density matrix of an arbitrary quantum mechanical system in terms of the quantities pertinent to the solution of the time-dependent density functional theory (TDDFT) problem. Our theory utilizes the adiabatic connection…

Mesoscale and Nanoscale Physics · Physics 2019-09-04 Vladimir U. Nazarov

A mapping is made between fermion exchange and excluded volume in the quantum-classical isomorphism using polymer self-consistent field theory. Apart from exchange, quantum particles are known to be exactly representable in classical…

Quantum Physics · Physics 2026-02-05 Malcolm A. Kealey , Philip A. LeMaitre , Russell B. Thompson

How to introduce thermodynamics to quantum mechanics ? Among from numerous possibilities of solving this task, the simple choice is here: The conventional von Neumann equation deals with a density operator whose probability weights are time…

Quantum Physics · Physics 2021-03-17 Wolfgang Muschik

We use time-dependent spin-density-functional theory to study dynamical magnetic phenomena. First, we recall that the local-spin-density approximation (LSDA) fails to account correctly for magnetic fluctuations in the paramagnetic state of…

Materials Science · Physics 2009-11-07 K. Capelle , B. L. Gyorffy

Exact solutions of time-dependent Schr\"odinger equation in presence of time-dependent potential is defined by point transformation and separation of variables. Energy and Heisenberg uncertainty relation are pursued for time-independent…

Quantum Physics · Physics 2021-11-04 Debraj Nath

Most present applications of time-dependent density functional theory use adiabatic functionals, i.e. the effective potential at time t is determined solely by the density at the same time. This paper discusses a method that aims to go…

Strongly Correlated Electrons · Physics 2009-11-10 Yair Kurzweil , Roi Baer

Forty-five years after the point de d\'epart [1] of density functional theory, its applications in chemistry and the study of electronic structures keep steadily growing. However, the precise form of the energy functional in terms of the…

Chemical Physics · Physics 2019-10-29 Philippe Blanchard , José M. Gracia-Bondía , Joseph C. Várilly

We follow the emergence of quantum entanglement in a scattering event between two initially uncorrelated distinguishable quantum particles interacting via a delta potential. We calculate the time dependence of the Neumann entropy of the…

Quantum Physics · Physics 2015-05-30 Mihaly G. Benedict , Judit Kovacs , Attila Czirjak

The rich and diverse dynamics of particle-based systems ultimately originates from the coupling of their degrees of freedom via internal interactions. To arrive at a tractable approximation of such many-body problems, coarse-graining is…

Soft Condensed Matter · Physics 2022-03-31 Matthias Schmidt

We extend a path-integral approach to bosonization previously developed in the framework of equilibrium Quantum Field Theories, to the case in which time-dependent interactions are taken into account. In particular we consider a non…

High Energy Physics - Theory · Physics 2009-11-10 Carlos M. Naón , Mariano J. Salvay , Marta L. Trobo

We argue that the asymptotic condition should not be applied in the derivation of the real time formalism of thermal field theory. It is shown that, contrary to popular belief, the generating functional of time ordered Green functions does…

High Energy Physics - Phenomenology · Physics 2016-08-24 T. S. Evans , A. C. Pearson

We calculate the energy deposition by very short laser pulses in SiO_2 (alpha-quartz) with a view to establishing systematics for predicting damage and nanoparticle production. The theoretical framework is time-dependent density functional…

Materials Science · Physics 2015-11-18 S. A. Sato , K. Yabana , Y. Shinohara , T. Otobe , K. M. Lee , G. F. Bertsch

We connect the weak measurements framework to the path integral formulation of quantum mechanics. We show how Feynman propagators can in principle be experimentally inferred from weak value measurements. We also obtain expressions for weak…

Quantum Physics · Physics 2020-09-09 A. Matzkin

Feynman-Vernon influence functional (IF) was originally introduced to describe the effect of a quantum environment on the dynamics of an open quantum system. We apply the IF approach to describe quantum many-body dynamics in isolated spin…

Quantum Physics · Physics 2021-07-28 Michael Sonner , Alessio Lerose , Dmitry A. Abanin

We introduce a new discrete-time variational principle inspired by the quantum clock originally proposed by Feynman, and use it to write down quantum evolution as a ground state eigenvalue problem. The construction allows one to apply…

Quantum Physics · Physics 2014-03-05 Jarrod R. McClean , John A. Parkhill , Alán Aspuru-Guzik

We study certain aspects of the effective, occasionally called collective, description of complex quantum systems within the framework of the path integral formalism, in which the environment is integrated out. Generalising the standard…

Statistical Mechanics · Physics 2007-05-23 U. Eckern , M. J. Gruber , P. Schwab