Related papers: Semiclassical atom theory applied to solid-state p…
Dirac sea corrections for bulk properties of finite nuclei are computed within a self-consistent scheme in the $\sigma$-$\omega$ model. The valence part is treated in the Hartree approximation whereas the sea contribution is evaluated…
We develop a semiclassical theory for the spectral rigidity of non-hydrogenic Rydberg atoms in electric fields and evaluate the significant deviations from the well-known Poissonian behaviour in the hydrogenic case. The resulting formula is…
We briefly review a recently developed semiclassical theory for quantum oscillations in the spatial (particle and kinetic energy) densities of finite fermion systems and present some examples of its results. We then discuss the inclusion of…
We investigate the behavior of three-dimensional (3D) exchange-correlation energy functional approximations of density functional theory in anisotropic systems with two-dimensional (2D) character. Using two simple models, quasi-2D electron…
We determine the ground state energy of atoms and quantum dots whose number N of electrons is large. We show that the dominant terms of the energy are those given by a semiclassical Hartree-Fock theory. Correlation effects appear at the…
Classical nucleation theory (CNT), linking rare nucleation events to the free energy landscape of a growing nucleus, is central to understanding phase-change kinetics in passive fluids. Nucleation in non-equilibrium systems is much harder…
We apply the quantum-defect theory for $-1/R^4$ potential to study the resonant charge exchange process. We show that by taking advantage of the partial-wave-insensitive nature of the formulation, resonant charge exchange of the type of…
Local density approximation for the exchange energy is made for treatment of excited-states in density-functional theory. It is shown that taking care of the state-dependence of the LDA exchange energy functional leads to accurate…
An exchange energy functional is proposed and tested for obtaining a class of excited-state energies using density functional formalism. The functional is the excited-state counterpart of the local-density approximation functional for the…
Density functional theory (DFT) is a widespread and effective tool in electronic structure calculations for ground-state electron systems. Its success has prompted exploration into the use of DFT for non-collective excited states. The delta…
First and second order corrections for the scattering of different types of particles by a weak gravitational field, treated as an external field, are calculated. These computations indicate a violation of the Equivalence Principle: to…
A time dependent variational principle is used to dequantize a second order quadrupole boson Hamiltonian. The classical equations for the generalized coordinate and the constraint for angular momentum are quantized and then analytically…
We studied the edge states and transverse electron focusing in the presence of spin-orbit interaction in a two dimensional electron gas. Assuming strong spin-orbit coupling we derived semiclassical quantization conditions to describe the…
The validity of small damping approximation (SDA) for the quasi-classical description of the averaged properties of nuclei at high temperatures is studied within the framework of collisional kinetic theory. The isoscalar collective…
Nuclear structure theory has recently gone through a major renewal with the development of ab initio techniques that can be applied to a large number of atomic nuclei, well beyond the light sector that had been traditionally targeted in the…
We use a semiclassical approximation to derive the partition function for an arbitrary potential in one-dimensional Quantum Statistical Mechanics, which we view as an example of finite temperature scalar Field Theory at a point. We rely on…
A critical challenge for density functional theory (DFT) in practice is its limited ability to treat static electron correlation, leading to errors in its prediction of charges, multiradicals, and reaction barriers. Recently, we combined…
A model is developed, based on the density functional perturbation theory and the inverse Kohn-Sham method, that can be used to improve relativistic nuclear energy density functionals towards an exact but unknown Kohn-Sham…
Density functional theory (DFT) is the de facto approach for predicting self-consistent-field electronic structures of ground-state configurations of complex atoms, molecules, and solids and providing their property data for materials…
We extend density-matrix expansions in nuclei to higher orders in derivatives of densities and test their convergence properties. The expansions allow for converting the interaction energies characteristic to finite- and short-range nuclear…