Related papers: Solutions of the multiconfiguration Dirac-Fock equ…
We present an implementation of a time-dependent multiconfiguration self-consistent-field (TD-MCSCF) method [R. Anzaki et al., Phys. Chem. Chem. Phys. 19, 22008 (2017)] with the full configuration interaction expansion for coupled…
Multiconfiguration Hartree-Fock (MCHF) and multiconfiguration Dirac-Hartree-Fock (MCDHF) calculations are performed for the $2p^{5}~^{2}P^{o}$, $2p^4(^{3}P)3s~^{4}P$, $2p^4(^{3}P)3s~^{2}P$ and $2p^4(^{3}P)3p~^{4}S^o$ states of $^{19}$F~I to…
The continued miniaturization of semiconductor devices, represented by Moore's law, has reached the atomic scale limit, requiring nanoscale quantum mechanical effects to be included in device simulations without empirical parameters. For…
We demonstrate that a conditional wavefunction theory enables a unified and efficient treatment of the equilibrium structure and nonadiabatic dynamics of correlated electron-ion systems. The conditional decomposition of the many-body…
Multi-reference calculations along the lines of the Generator Coordinate Method or the restoration of broken symmetries within the nuclear Energy Density Functional (EDF) framework are becoming a standard tool in nuclear structure physics.…
High-level decision-making for dynamical systems often involves performance and safety specifications that are activated or deactivated depending on conditions related to the system state and commands. Such decision-making problems can be…
A relativistic equation is deduced for the bound state of two particles, by assuming a proper boundary condition for the propagation of the negative-energy states. It reduces to the (one-body)Dirac equation in the infinite limit of one of…
An overview on the relativistic Dirac-Brueckner approach to the nuclear many-body problem is given. Different approximation schemes are discussed, with particular emphasis on the nuclear self-energy and the saturation mechanism of nuclear…
In this paper, we analyze the existence of solution for a fractional elliptic system coupled by critical nonlinearities and endowed with mixed Dirichlet-Neumann boundary conditions. By means of variational methods and an…
The $4d \to 3p$ x-ray transitions in Cu- and Ni-like tungsten ions have been studied theoretically. The multiconfiguration Dirac-Hartree-Fock (MCDHF) method and the large-scale relativistic configuration-interaction (CI) method have been…
A relativistic equation is proposed for the bound state of two particles, which is in accord with the boundary condition for the propagation of the negative-energy states and reduces to the (one-body)Dirac equation in the infinite limit of…
The Dirac equation plays an essential role in the relativistic quantum systems, which is reduced to a form similar to Schrodinger equation when a certain potential's type is selected as the Cornell potential. By choosing the generalized…
A global hybrid extension of variational two-electron reduced-density matrix (v2RDM)-driven multiconfiguration pair-density functional theory (MCPDFT) is developed. Using a linear decomposition of the electron-electron repulsion term, a…
A multiconfigurational adiabatic connection (AC) formalism is an attractive approach to computing dynamic correlation within CASSCF and DMRG models. Practical realizations of AC have been based on two approximations: i) fixing one- and…
An electrodynamical coupled cluster (CC) methodology starting from a covariant formalism and an equal time approximation, and finally based on the Dirac-Fock picture of the electron and positron fields and Coulomb gauge, is given here. The…
The relativistic coupled-cluster (RCC) theory has been applied recently to a number of heavy molecules to determine their properties very accurately. Since it demands large computational resources, the method is often approximated to…
It is well known that a single nonlinear fractional Schr\"odinger equation with a potential $V(x)$ and a small parameter $\varepsilon $ may have a positive solution that is concentrated at the nondegenerate minimum point of $V(x)$. In this…
The dual-kinetic-balance (DKB) finite basis set method for solving the Dirac equation for hydrogen-like ions [V. M. Shabaev et al., Phys. Rev. Lett. 93, 130405 (2004)] is extended to problems with a non-local spherically-symmetric…
The Bogoliubov-Dirac-Fock (BDF) model allows to describe relativistic electrons interacting with the Dirac sea. It can be seen as a mean-field approximation of Quantum Electro-dynamics (QED) where photons are neglected. This paper treats…
In nuclear physics, the relativistic mean-field theory describes the nucleus as a system of Dirac nucleons which interact via meson fields. In a static case and without nonlinear self-coupling of the $\sigma$ meson, the relativistic…