Related papers: Semiclassical atom theory applied to solid-state p…
We present new theoretical results on the spectrum of the quantum field theory of the Double Sine Gordon model. This non-integrable model displays different varieties of kink excitations and bound states thereof. Their mass can be obtained…
The self consistent version of the density functional theory (DFT) is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems such as atoms, molecules and clusters. The exact functional…
Due to several attractive features, the meta-generalized-gradient approximations (meta-GGAs) are considered to be the most advanced and potentially accurate semilocal exchange-correlation functionals in the rungs of the Jacob's ladder of…
We present and discuss some ideas concerning an ``average-pair-density functional theory'', in which the ground-state energy of a many-electron system is rewritten as a functional of the spherically and system-averaged pair density. These…
The method of integrals of motion is used to construct families of generalized coherent states of a nonrelativistic spinless charged particle in a constant electric field. Families of states, differing in the values of their standard…
We develop a semiclassical theory of modified gravity with nontrivial spacetime torsion. In particular, we show that the semiclassical treatment can be axiomatized in the case of Einstein--Cartan theory with a nonminimally coupled, free…
We study the semiclassical expansion of the effective action for a Regge state-sum model and its dependence on the choice of the path-integral measure and the spectrum of the edge lengths. If the positivity of the edge lengths is imposed in…
Density functional theory has become the workhorse of quantum physics, chemistry, and materials science. Within these fields, a broad range of applications needs to be covered. These applications range from solids to molecular systems, from…
Semiclassical periodic-orbit theory and closed-orbit theory represent a quantum spectrum as a superposition of contributions from individual classical orbits. Close to a bifurcation, these contributions diverge and have to be replaced with…
Most approximate exchange-correlation functionals used within density functional theory are constructed as the sum of two distinct contributions for exchange and correlation. Separating the exchange component from the entire functional is…
Taking into account the recent developments associated with duality in physics, this article is focused on investigating the properties of a tensor generalization of the electrodynamics dual to the standard vector model even considering the…
We construct a class of systems for which quantum dynamics can be expanded around a mean field approximation with essentially classical content. The modulus of the quantum overlap of mean field states naturally introduces a classical…
Lewin and Lieb have recently proven several new bounds on the exchange-correlation energy that complement the Lieb-Oxford bound. We test these bounds for atoms, for slowly-varying gases, and for Hooke's atom, finding them usually less…
Semi-local density functionals for the exchange-correlation energy of electrons are extensively used as it produce realistic and accurate results for finite and extended systems. The choice of techniques play crucial role in constructing…
An isospin and spin dependent form of the equation of state for nuclear matter is presented. This form is used for the description of nucleon interaction in a new dynamic model. Preliminary calculations show that the new approach makes…
A fully analytical approximation for the observable characteristics of many-electron atoms is developed via a complete and orthonormal hydrogen-like basis with a single-effective charge parameter for all electrons of a given atom. The basis…
Through detailed comparisons between Embedded Atom Method (EAM) and first-principles calculations for Al, we find that EAM tends to fail when there are large electron density gradients present. We attribute the observed failures to the…
We present a generic transfer matrix approach for the description of the interaction of atoms possessing multiple ground state and excited state sublevels with light fields. This model allows us to treat multi-level atoms as classical…
We address problems arising in supersaturated systems of small atomic particles in solids. Nucleation processes in such systems do not seem to follow the classical interpretation but may be indicative of quantal nucleation partucularly at…
The usual semiclassical approximation for atom-field dynamics consists in substituting the field operators by complex numbers related to the (supposedly large enough) intensity of the field. We show that a semiclassical evolution for…