Related papers: Solutions of the multiconfiguration Dirac-Fock equ…
We review recent applications of the Two Body Dirac equations of constraint dynamics to meson spectroscopy and describe new extensions to three-body problems in their use in the study of baryon spectroscopy. We outline unique aspects of…
The auxiliary functions provide efficient computation of integrals arising at the self-consistent field (SCF) level for molecules using Slater-type bases. This applies both in relativistic and non-relativistic electronic structure theory.…
We develop a relativistic model to describe the bound states of positive energy and negative energy in finite nuclei at the same time. Instead of searching for the negative-energy solution of the nucleon's Dirac equation, we solve the Dirac…
The electronic and magnetic properties of many strongly-correlated systems are controlled by a limited number of states, located near the Fermi level and well isolated from the rest of the spectrum. This opens a formal way for combining the…
Nonadiabatic molecular dynamics is an effective method for modeling nonradiative decay in electronically excited molecules. Its accuracy depends strongly on the quality of the potential energy surfaces, and its affordability for long…
We review a large body of predictions obtained within the framework of relativistic meson theory together with the Dirac-Brueckner-Hartree-Fock approach to nuclear matter and finite nuclei. The success of this method has been largely…
We consider a weakly coupled singularly perturbed variational elliptic system in a bounded smooth domain with Dirichlet boundary conditions. We show that, in the competitive regime, the number of fully nontrivial solutions with nonnegative…
We present a comprehensive study of low-lying states in even-even Ne, Mg, Si, S, Ar isotopes with the multireference density functional theory (MR-DFT) based on a relativistic point-coupling energy density functional (EDF). Beyond…
We present a modified Front Tracking (mFT) scheme for hyperbolic systems of conservation laws in one space dimension, in which we allow arbitrarily large nonlinear waves. We build the scheme by introducing and solving a ``generalized…
The possibility of finding multistability in the density and current of an interacting nanoscale junction coupled to semi-infinite leads is studied at various levels of approximation. The system is driven out of equilibrium by an external…
Most nonrelativistic electron correlation methods can be adapted to account for relativistic effects, as long as the relativistic molecular spinor integrals are available, from either a four-, two-, or one-component mean-field calculation.…
We investigate wavepacket dynamics across supercritical barriers for the Klein-Gordon and Dirac equations. Our treatment is based on a multiple scattering expansion (MSE). For spin-0 particles, the MSE diverges, rendering invalid the use of…
Strong correlation can be essentially captured with multireference wavefunction methods such as complete active space self-consistent field (CASSCF) or density matrix renormalization group (DMRG). Still, an accurate description of the…
The multi-configurational self-consistent field theory is considered the standard starting point for almost all multireference approaches required for strongly-correlated molecular problems. The limitation of the approach is generally given…
This work presents the formalism for evaluating molecular SCF equations, as adapted to four$-$component Dirac spinors, which in turn reduce to Slater$-$type orbitals with non$-$integer principal quantum numbers in the non$-$relativistic…
We explore a two-dimensional Hubbard model adapted to host altermagnetic states. Utilizing Hartree-Fock (HF) and dynamical mean field theory (DMFT), we uncover that the magnetic solutions of this model feature Dirac points in their…
The intrinsic nuclear shapes deviating from a sphere not only manifest themselves in nuclear collective states but also play important roles in determining nuclear potential energy surfaces (PES's) and fission barriers. In order to describe…
A two-dimensional, fully numerical approach to the solution of four-component Dirac-Fock equation using the moderately long Hermitian basis of B-splines is applied to H, H2+ and H2 in a strong magnetic field. The geometric parameters,…
We consider explicit two-level three-point in space finite-difference schemes for solving 1D barotropic gas dynamics equations. The schemes are based on special quasi-gasdynamic and quasi-hydrodynamic regularizations of the system. We…
This paper investigates the \emph{massive} Maxwell-Dirac system under the Lorenz gauge condition in (4+1) dimensional Minkowski space. The focus is on establishing global existence and scattering results for small solutions on the weighted…