相关论文: Integral representations for the Hartman--Watson d…

To construct an N-representable time-dependent density-functional theory, a generalization to the time domain of the Levy-Lieb (LL) constrained search algorithm is required. That the action is only stationary in the Dirac-Frenkel…

Density functional theory (DFT), one of the most widely utilized methods available to computational chemistry, fails to describe systems with statically correlated electrons. To address this shortcoming, in previous work we transformed DFT…

The extension of the density functional theory (DFT) to include pairing correlations without formal violation of the particle-number conservation condition is described. This version of the theory can be considered as a foundation of the…

Based on a Problem and its solution published on the pages of SIAM Review, we give an interesting integral representation for the Lambert $W$ function in this short note. In particular, our result yields a new integral representation for…

In this paper we prove the Wong-Zakai approximation of probability density functions of solutions at a fixed time of rough differential equations driven by fractional Brownian rough path with Hurst parameter $H$ $(1/4 <H \leq 1/2)$. Besides…

Complete Hamiltonian formalism is suggested for inertial waves in rotating incompressible fluid. Resonance three-wave interaction processes -- decay instability and confluence of two waves -- are shown to play a key role in the weakly…

The purpose of this paper is to find pointwise representation formulas for the density of the pairing between divergence-measure fields and BV functions, in this way continuing the research started in [17,20]. In particular, we extend a…

Let $d_S$ denote the arithmetic density of a subset $S \subseteq \mathbb N$. We derive a power series in $q\in \mathbb C$, $|q|<1$, with co\"efficients related to integer partitions and integer compositions, that yields $1/d_S$ in the limit…

A simple result for the pressure of a hard sphere fluid that was developed many years ago by Rennert is extended in a straightforward manner by adding the terms that are of the same form as the Rennert's formula. The resulting expression is…

The exact reduced density-matrix functional is derived from the Luttinger-Ward functional of the single-particle Green's function. Thereby, a formal link is provided between diagrammatic many-body approaches using Green's functions on the…

A density-functional theory is developed based on the Maxwell--Schr\"odinger equation with an internal magnetic field in addition to the external electromagnetic potentials. The basic variables of this theory are the electron density and…

Based on the formulation of Drinfel'd, Chari, and Pressley, a technique to analyze the structure of tensor products of the Yangian algebra representations is presented. We then apply the results to the $S$-matrix theory of the $G\otimes…

This note is intended for expanding the details on the derivation and properties of density functional theory, in hope to make them more systematic, better motivated, and step-by-step for readers new to the domain. The note starts with…

Barrieu, Rouault, and Yor [J. Appl. Probab. 41 (2004)] determined asymptotics for the logarithm of the distribution function of the Hartman-Watson distribution. We determine the asymptotics of the density. This refinement can be applied to…

The Sutherland approximation to the van der Waals forces is applied to the derivation of a self-consistent Vlasov-type field in a liquid filling a half space, bordering vacuum. The ensuing Vlasov equation is then derived, and solved to…

In the present work we propose a theory for obtaining successively better approximations to the linear response functions of time-dependent density or current-density functional theory. The new technique is based on the variational approach…

In electron density functional theory formal properties of density functionals play an important role in constructing and testing approximate functionals. In this paper it is shown that a set of density functionals satisfy an equation that…

We find solutions for a linear deformation of the symmetric three-term recursion relation. The orthogonal polynomials of the first and second kind associated with the deformed relation are obtained. The new density (weight) function is…

We develop a classical density functional for water which combines the White Bear fundamental-measure theory (FMT) functional for the hard sphere fluid with attractive interactions based on the Statistical Associating Fluid Theory…

Large biomolecular systems, whose function may involve thousands of atoms, cannot easily be addressed with parameter-free density functional theory (DFT) calculations. Until recently a central problem was that such systems possess an…