Related papers: N-representability and stationarity in time-depend…
To go beyond Gaussian approximation to the Hohenberg-Kohn free energy playing the key role in the density functional theory (DFT), the density functional \textit{integral} representation would be relevant, because field theoretical approach…
This paper gives an introduction to the Keldysh formalism, with emphasis on its usefulness in time-dependent density functional theory. In the first part we introduce the Keldysh contour and the one-particle Green function defined on this…
We investigate piecewise-linear stochastic models as with regards to the probability distribution of functionals of the stochastic processes, a question which occurs frequently in large deviation theory. The functionals that we are looking…
Quantum mechanics does not provide any ready recipe for defining energy density in space, since the energy and coordinate do not commute. To find a well-motivated energy density, we start from a possibly fundamental, relativistic…
In this paper we find fractional Riemann-Liouville derivatives for the Takagi-Landsberg functions. Moreover, we introduce their generalizations called weighted Takagi-Landsberg functions which have arbitrary bounded coefficients in the…
After introducing the formalism of the general space and time fractional Schr\"odinger equation, we concentrate on the time fractional Schr\"odinger equation and present new results via the elegant language of Fox's H-functions. We show…
We propose a first-principles time-dependent density functional theoretical (TDDFT) approach in momentum (P) space for quantitative study of electron transport in molecular devices under arbitrary biases. In this approach, the basic…
Nuclear quantum effects and non-Born--Oppenheimer effects play a vital role in many chemical and biological processes, motivating the incorporation of such effects into dynamical simulations. In real-time nuclear--electronic orbital…
Based on a microscopic system reservoir model,where the associated bath is not in thermal equilibrium, we simulate the nonstationary Langevin dynamics and obtained the generalized nonstationary fluctuation dissipation relation (FDR) which…
In the one-dimensional stationary case, we construct a mechanical Lagrangian describing the quantum motion of a non-relativistic spinless system. This Lagrangian is written as a difference between a function $T$, which represents the…
We give the first mathematically rigorous justification of the Local Density Approximation in Density Functional Theory. We provide a quantitative estimate on the difference between the grand-canonical Levy-Lieb energy of a given density…
We develop an action formulation of stochastic dynamics in the Hilbert space. By generalizing the Wiener process into 1+3-dimensional spacetime, we define a Lorentz-invariant random field. By coupling the random to quantum fields, we obtain…
This paper shows that for any random variables $X$ and $Y$, it is possible to represent $Y$ as a function of $(X,Z)$ such that $Z$ is independent of $X$ and $I(X;Z|Y)\le\log(I(X;Y)+1)+4$ bits. We use this strong functional representation…
By shifting the reference system for the local-density approximation (LDA) from the electron gas to other model systems one obtains a new class of density functionals, which by design account for the correlations present in the chosen…
Field equations with time and coordinates derivatives of noninteger order are derived from stationary action principle for the cases of power-law memory function and long-range interaction in systems. The method is applied to obtain a…
Electrons obeying the Dirac equation are investigated under the non-relativistic $c \mapsto \infty$ limit. General solutions are given by derivatives of the relativistic invariant functions whose forms are different in the time- and the…
We provide a complete derivation of hydrodynamic equations for nonrelativistic systems based on quantum field theories of spinless Schr\"odeinger fields, assuming that an initial density operator takes a special form of the local Gibbs…
We investigate a class of nonlinear time-space fractional Schr\"{o}dinger equations with nonlocal effects in both time and space. The time derivative is of Achar type, and the space operator is a $\phi(-\Delta)$-type operator defined via a…
The functional linear model extends the notion of linear regression to the case where the response and covariates are iid elements of an infinite dimensional Hilbert space. The unknown to be estimated is a Hilbert-Schmidt operator, whose…
We obtain density theorems for cuspidal automorphic representations of $\text{GL}_n$ over $\mathbb{Q}$ which fail the generalized Ramanujan conjecture at some place. We depart from previous approaches based on Kuznetsov-type trace formulae,…