Related papers: Functional differentiability in time-dependent qua…
Using the Runge-Gross theorem that establishes the foundation of Time-dependent Density Functional Theory (TDDFT) we prove that for a given electronic Hamiltonian, choice of initial state, and choice of fragmentation, there is a unique…
Time-Dependent Density Functional Theory (TDDFT) has recently been extended to describe many-body open quantum systems (OQS) evolving under non-unitary dynamics according to a quantum master equation. In the master equation approach,…
Specific matrix elements of exchange and correlation kernels in time-dependent density-functional theory are computed. The knowledge of these matrix elements not only constraints approximate time-dependent functionals, but also allows to…
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…
In this work we derive a systematic short-range expansion of the many-body wave function. At leading order, the wave function is factorized to a zero-energy $s$-wave correlated pair and spectator particles, while terms that include energy…
Given the time-evolution of an electron charge density, the local potential in Kohn-Sham time-dependent density functional theory (KS-TDDFT) can be modeled as a sum of instantaneous and dynamic contributions by assuming a certain form of…
In this paper, three plausible axioms together with two definitions are employed to build an axiomatic framework, and then with the help of the Dirac formalism, it is demonstrated that the time-dependent Schr\"odinger wave equation is no…
In a recent paper, general solutions for the vacuum wave functionals in the Schrodinger picture were given for a variety of classes of curved spacetimes. Here, we describe a number of simple examples which illustrate how the presence of…
Individual quantum objects display inseparable coexisting wave-like properties and particle-like properties; such inseparable coexistence can seem paradoxical and mind-boggling. The apparent paradox is resolved by the unified theory of…
This paper establishes the applicability of density functional theory methods to quantum computing systems. We show that ground-state and time-dependent density functional theory can be applied to quantum computing systems by proving the…
This article has been published as a chapter in "Chemical Reactivity Theory: A Density Functional View", ed. P. K. Chattaraj (CRC Press, New York, 2009), ch. 8, p. 105. In it, an overview of the relationship between time-dependent DFT and…
Nonequilibrium quantum physics greatly simplifies in the case of time-periodic Hamiltonians, since Floquet theory provides an analogue to Bloch's theorem in the time domain. Still, the formal properties of Floquet many-body theory remain…
We present a variational method which uses a quartic exponential function as a trial wave-function to describe time-dependent quantum mechanical systems. We introduce a new physical variable $y$ which is appropriate to describe the shape of…
We consider the electrons of a molecule in the adiabatic time-dependent density functional theory approximation. We establish the well-posedness of the time evolution and its linear response close to a non-degenerate ground state, and prove…
The nonequilibrium thermodynamics of interacting quantum many-body systems is investigated within the framework of thermal time-dependent density functional theory using a generalized linear-response formulation for the full quantum work…
The textbook treatment in that the wave function of a dynamical system is expanded in an eigenfunction series is investigated. With help of an elementary example and some mathematical theorems, it is revealed that in terms of solving the…
In this contribution we determine the exact solution for the ground-state wave function of a two-particle correlated model atom with harmonic interactions. From that wave function, the nonidempotent one-particle reduced density matrix is…
We develop a calculus of variations for functionals which are defined on a set of non differentiable curves. We first extend the classical differential calculus in a quantum calculus, which allows us to define a complex operator, called the…
We investigate the stochastic motion of a Brownian particle in the harmonic potential with a time-dependent force constant. It may describe the motion of a colloidal particle in an optical trap where the potential well is formed by a…
Inspired by the works of \cite{baz2} and \cite{kian}, this study develops an abstract framework for analyzing differential equations with space-dependent fractional time derivatives and bounded operators. Within this framework, we establish…