相关论文: Time discretization of functional integrals
We calculate ground-state energies and densities of a helium atom confined in an impenetrable spherical box within density functional theory. These calculations are performed by variationally solving Kohn-Sham equation with the ground-state…
A generalization of symmetrized density matrices in combination with the technique of generating functions allows to calculate the partition function of identical particles in a parabolic confining well. Harmonic two-body interactions…
The partition function by means of the static path approximation (SPA) plus the random-phase approximation (RPA) treatment can be written as a contour integral form without solving the RPA equations for a separable interaction. This method…
We propose a discrete functional analysis result suitable for proving compactness in the framework of fully discrete approximations of strongly degenerate parabolic problems. It is based on the original exploitation of a result related to…
We present the first mathematical analysis of stochastic density functional theory (DFT) in the context of the Hartree approximation. We motivate our analysis via the notion of nearly-optimal or $\tilde{O}(n)$ scaling with respect to the…
Neutron diffraction and muon spin relaxation measurements are used to obtain a detailed phase diagram of Pr(Fe,Ru)AsO. The isoelectronic substitution of Ru for Fe acts effectively as spin dilution, suppressing both the structural and…
We perform extensive molecular dynamics simulations of dense liquids composed of bidisperse dimer- and ellipse-shaped particles in 2D that interact via repulsive contact forces. We measure the structural relaxation times obtained from the…
The decay rate for a particle in a metastable cubic potential is investigated in the quantum regime by the Euclidean path integral method in semiclassical approximation. The imaginary time formalism allows one to monitor the system as a…
We consider Gaussian Besov spaces obtained by real interpolation and Riemann-Liouville operators of fractional integration on the Gaussian space and relate the fractional smoothness of a functional to the regularity of its heat extension.…
The properties of the strongly interacting edge states of two dimensional topological insulators in the presence of two particle backscattering are investigated. We find an anomalous behavior of the density-density correlation functions,…
We study the zero temperature coarsening dynamics in an Ising chain in presence of a dynamically induced field that favors locally the `-' phase compared to the `+' phase. At late times, while the `+' domains still coarsen as $t^{1/2}$, the…
Partition functions of probability distributions are important quantities for model evaluation and comparisons. We present a new method to compute partition functions of complex and multimodal distributions. Such distributions are often…
A new reference state for density functional theory, termed the independent atom ansatz, is introduced in this work. This ansatz allows for the exact representation of electron density in terms of non-interacting, atom-localized orbitals.…
A shift-invariant system is a collection of functions $\{g_{m,n}\}$ of the form $g_{m,n}(k) = g_m(k-an)$. Such systems play an important role in time-frequency analysis and digital signal processing. A principal problem is to find a dual…
We present a modified finite temperature Lanczos method for the evaluation of dynamical and static quantities of strongly correlated electron systems that complements the finite temperature method (FTLM) introduced by Jaklic and Prelovsek…
Local observables and their translationally invariant counterparts are generally thought as providing the same predictions for experimental measurements. This is used in the context of their expectation values, which are indeed the same in…
Site diluted spin-1/2 Ising and spin-1 Blume Capel (BC) models in the presence of transverse field interactions are examined by introducing an effective-field approximation that takes into account the multi-site correlations in the cluster…
A two-state spin system is specified by a 2 x 2 matrix A = {A_{0,0} A_{0,1}, A_{1,0} A_{1,1}} = {\beta 1, 1 \gamma} where \beta, \gamma \ge 0. Given an input graph G=(V,E), the partition function Z_A(G) of a system is defined as Z_A(G) =…
We address the problem of calculating finite-temperature response functions of an experimentally relevant low-dimensional strongly-correlated system: the integrable 1D Bose gas with repulsive \delta-function interaction (Lieb-Liniger…
Integrated time-slice correlation functions $G(t)$ with weights $K(t)$ appear, e.g., in the moments method to determine $\alpha_s$ from heavy quark correlators, in the muon g-2 determination or in the determination of smoothed spectral…