Related papers: Range-separated density-functional theory applied …
Forty-five years after the point de d\'epart [1] of density functional theory, its applications in chemistry and the study of electronic structures keep steadily growing. However, the precise form of the energy functional in terms of the…
Within density-functional theory, perturbation theory~(PT) is the state-of-the-art formalism for assessing the response to homogeneous electric fields and the associated material properties, e.g., polarizabilities, dielectric constants, and…
Two-parameter perturbation theory is a scheme tailor-made to consistently include nonlinear density contrasts on small scales ($<100\; \mathrm{Mpc}$), whilst retaining a traditional approach to cosmological perturbations in the…
Within the framework of many-particle perturbation theory, we develop an analytical approach that allows us to determine the small distance behavior of Green's functions and related quantities in electronic structure theory. As a case…
We present a self-consistent analytic theory of the intra-layer and inter-layer pair correlation functions in electron-electron and electron-hole fluid bilayer systems. Our approach involves the solution of a zero-energy scattering…
The asymmetric Hubbard dimer is used to study the density-dependence of the exact frequency-dependent kernel of linear-response time-dependent density functional theory. The exact form of the kernel is given, and the limitations of the…
The main elements and methods of chiral perturbation theory, the effective field theory of the Standard Model below the scale of spontaneous chiral symmetry breaking, are summarized. Applications to the interactions of mesons and baryons at…
A density functional theory is developed for fermions in one dimension, interacting via a delta-function. Such systems provide a natural testing ground for questions of principle, as the local density approximation should work well for…
Cluster perturbation theory is a technique for calculating the spectral weight of Hubbard models of strongly correlated electrons, which combines exact diagonalizations on small clusters with strong-coupling perturbation theory at leading…
Recently a number of analytic prescriptions for computing the non-linear matter power spectrum have appeared in the literature. These typically involve resummation or closure prescriptions which do not have a rigorous error control, thus…
The joint probability distribution function (PDF) of the density within multiple concentric spherical cells is considered. It is shown how its cumulant generating function can be obtained at tree order in perturbation theory as the Legendre…
The Bose-Hubbard Hamiltonian capturing the essential physics of the arrays of interacting Bose-Einstein condensates is addressed, focusing on arrays consisting of two (dimer) and three (trimer) sites. In the former case, some results…
We lay out the extension of range-separated density-functional theory to a four-component relativistic frame-work using a Dirac-Coulomb-Breit Hamiltonian in the no-pair approximation. This formalism combines a wave-function method for the…
Accurate charge densities are essential for reliable electronic structure calculations because they significantly impact predictions of various chemical properties and in particular, according to the Hellmann-Feynman theorem, atomic forces.…
We investigate a density-functional theory (DFT) approach for an unpolarized trapped dilute Fermi gas in the unitary limit . A reformulation of the recent work of T. Papenbrock [Phys. Rev. A, {\bf 72}, 041602(R) (2005)] in the language of…
Density-functional theory is a formally exact description of a many-body quantum system in terms of its density; in practice, however, approximations to the universal density functional are required. In this work, a model based on deep…
Temperature variations of the heat capacity (C) are studied in a low temperature regime for 2D-, and 3D-systems with N~100-10000 treated as a canonical ensemble of N-noninteracting fermions. The analysis of C is performed by introducing…
We propose a multiconfigurational hybrid density-functional theory which rigorously combines a multiconfiguration self-consistent-field calculation with a density-functional approximation based on a linear decomposition of the…
We present a channel-resolved interpretation of laser-driven Coulomb explosion of the HCl dimer from an ensemble of trajectories. Three dominant outcomes are identified: a minor three-body channel and two four-body channels (sequential and…
Recently, a new and powerful separability criterion was introduced in [O. Rudolph, quant-ph/0202121] and [Chen {\it et al.}, quant-ph/0205017]. Composing the main idea behind the above criterion and the necessary and sufficient condition in…