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An explicitly orbital-dependent correlation energy functional is proposed, which is to be used in combination with the orbital-dependent exchange energy functional in energy-band calculations. It bears a close resemblance to the…
Plane-wave electronic-structure predictions based upon orbital-dependent density-functional theory (OD-DFT) approximations, such as hybrid density-functional methods and self-interaction density-functional corrections, are severely affected…
Response calculations in density functional theory aim at computing the change in ground-state density induced by an external perturbation. At finite temperature these are usually performed by computing variations of orbitals, which involve…
We present a closed-form finite-dimensional projection method for regularizing a function defined by a discrete set of measurement data, which have been contaminated by random, zero mean errors, and for estimating the derivative and…
In the density functional (DF) theory of Kohn and Sham, the kinetic energy of the ground state of a system of noninteracting electrons in a general external field is calculated using a set of orbitals. Orbital free methods attempt to…
The chiral surface electrons in the bulk quantum Hall effect probably form the first extended system in which conductance fluctuations can be calculated non-perturbatively in the presence of disorder. By use of the Kubo formula with…
We reinvestigate the large degeneracy solution of the multichannel Kondo problem, and show how in the universal regime the complicated integral equations simplifying the problem can be mapped onto a first order differential equation. This…
The expressions for average densities of currents and charges induced by a weak electromagnetic field in spatially inhomogeneous systems are obtained. The case of finite temperatures is considered. It is shown that average values are…
Existing statistical methods in causal inference often assume the positivity condition, where every individual has some chance of receiving any treatment level regardless of covariates. This assumption could be violated in observational…
We study the time and temperature dependent correlation functions for an impenetrable bose gas with open boundary conditions. We derive the Fredholm determinant formulae for the correlation functions, by means of the Bethe Ansatz. In the…
Undesired wave reflections, which occur at domain boundaries in flow simulations with free-surface waves, can be minimized by applying source terms in the vicinity of the boundary to damp the waves. Examples of such approaches are absorbing…
A quantum field-theoretical model which describes spatially non-homogeneous one-dimensional non-relativistic repulsive Bose gas in an external harmonic potential is considered. We calculate the two-point thermal correlation function of the…
In both research and textbook literature one often finds two ``different'' Kubo formulas for the zero-temperature conductance of a non-interacting Fermi system. They contain a trace of the product of velocity operators and single-particle…
A method to obtain (approximate) analytical expressions for the radial distribution functions in a multicomponent mixture of additive hard spheres that was recently introduced is used to obtain the direct correlation functions and bridge…
We explore a new formalism to study the nonlinear electronic density response based on Kohn-Sham density functional theory (KS-DFT) at partially and strongly quantum degenerate regimes. It is demonstrated that the KS-DFT calculations are…
The dynamics of a particle influenced by strongly-coupled quantum critical theories is studied by the holographic approach. A real-time prescription for the AdS/CFT correspondence in the context of nonequilibrium physics is proposed from…
Despite the risk of misspecification they are tied to, parametric models continue to be used in statistical practice because they are accessible to all. In particular, efficient estimation procedures in parametric models are simple to…
Correlation functions, such as static and dynamic structure factors, offer a versatile approach to analyzing atomic-scale structure and dynamics. By having access to the full dynamics from atomistic simulations, they serve as valuable tools…
Numerical solutions to fractional differential equations can be extremely computationally intensive due to the effect of non-local derivatives in which all previous time points contribute to the current iteration. In finite difference…
A variational formulation for the calculation of interacting fermion systems based on the density-matrix functional theory is presented. Our formalism provides for a natural integration of explicit many-particle effects into standard…