Related papers: Atomic shell structure from an orbital-free-relate…
It is suggested that an understanding of blackbody radiation within classical physics requires the presence of classical electromagnetic zero-point radiation, the restriction to relativistic (Coulomb) scattering systems, and the use of…
This paper initiates the systematic study of thermal field theory for generic equilibrium density matrices, which feature arbitrary values not only of temperature and chemical potentials, but also of average angular momentum. The focus here…
Classical density-functional theory is employed to study finite-temperature trends in the relative stabilities of one-component quasicrystals interacting via effective metallic pair potentials derived from pseudopotential theory. Comparing…
As a class of electron-rich materials, electrides demonstrate promising applications in many fields. However, the required high pressure restricts the practical applications to some extent. This study reveals that the unique feature of…
In this paper, we investigate the Schr\"odinger equation in a three-dimensional helically twisted space characterized by a non-trivial torsion parameter. By applying exact separation of variables, we derive the radial equation governing the…
We show an example of benign non-separability in an apparently separable system consisting of $n$ free non-correlated quantum particles, solitonic solutions to the nonlinear phase modification of the Schr\"{o}dinger equation proposed…
This paper organizes McMillan-Mayer theory, the potential distribution approach, and quasi-chemical theory to provide theory for the thermodynamic effects associated with longer spatial scales involving longer time scales, thus helping to…
The ground state energy of a system of electrons and nuclei is proven to be a variational functional of the conditional electronic density $n_R(\mathbf{r})$, the nuclear wavefunction $\chi(R)$ and an induced vector potential $A_{\mu}(R)$…
Recently, it was observed that self-interacting scalar quantum field theories having a non-Hermitian interaction term of the form $g(i\phi)^{2+\delta}$, where $\delta$ is a real positive parameter, are physically acceptable in the sense…
A general method is described for finding algebraic expressions for matrix elements of any one- and two-particle operator for an arbitrary number of subshells in an atomic configuration, requiring neither coefficients of fractional…
In the first order of perturbation theory, the total energy of a diatomic molecule in the ground state is calculated taking into account the Pauli principle and plasma oscillations of atomic electrons. The Fourier component of the potential…
A survey on the dynamical and thermodynamical properties of plasmas with strong Coulomb interactions in the quasi-classical density-temperature region is given. First the basic theoretical concepts describing nonideality are discussed. The…
The relativistic mean field approach, within a theoretical framework known as the chiral confining model incorporating chiral symmetry breaking and quark confinement effects, is applied for the first time to finite nuclei. Model parameters…
We consider quantum particle or Gaussian polymer confinement between two surfaces and in cylinders with sinusoidal undulations. In terms of the variational method, we show that the quantum mechanical wave equations have lower ground state…
The theory relevant to the study of matter in equilibrium with the radiation field is thermal quantum electrodynamics (TQED). We present a formulation of the theory, suitable for non relativistic fluids, based on a joint functional integral…
Gaussian particles provide a flexible framework for modelling and simulating three-dimensional star-shaped random sets. In our framework, the radial function of the particle arises from a kernel smoothing, and is associated with an…
We describe how to apply the recently developed pole expansion and selected inversion (PEXSI) technique to Kohn-Sham density function theory (DFT) electronic structure calculations that are based on atomic orbital discretization. We give…
The electron self-energy for long-range Coulomb interactions plays a crucial role in understanding the many-body physics of interacting electron systems (e.g. in metals and semiconductors), and has been studied extensively for decades. In…
Quantum shape effect appears under the size-invariant shape transformations of strongly confined structures. Such a transformation distinctively influences the thermodynamic properties of confined particles. Due to their characteristic…
We describe an empirical, self-consistent, orthogonal tight-binding model for zirconia, which allows for the polarizability of the anions at dipole and quadrupole levels and for crystal field splitting of the cation d orbitals. This is…