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Variational, nonrelativisitic energies have been calculated for the ground state ($^3P_g$) and the lowest quintuplet state ($^5S_u$) of the carbon atom, with wavefunctions expressed in the basis of symmetry-projected, explicitly correlated…
A new model of quantum mechanics, Classical Quantum Mechanics, is based on the (nearly heretical) postulate that electrons are physical objects that obey classical physical laws. Indeed, ionization energies, excitation energies etc. are…
We extend our previous work [J. Chem. Phys, \textbf{136}, 124121], which described a spin-adapted (SU(2) symmetry) density matrix renormalization group (DMRG) algorithm, to additionally utilize general non-Abelian point group symmetries. A…
We propose a novel method to describe realistically ionization processes with absorbing boundary conditions in basis expansion within the formalism of the so-called Non-Adiabatic Quantum Molecular Dynamics. This theory couples…
The electrical conductivity in dense plasmas can be calculated with the relaxation-time approximation provided that the interaction potential between the scattering electron and the ion is known. To date there has been considerable…
New facilities explore warm dense matter (WDM) at extreme conditions where the densities are very high (e.g., carbon up to density of 50 g cm$^{-3}$) so that electrons are degenerate even at 100 eV temperature. Whereas in the non-degenerate…
A new model to study the dynamics of relativistic quantum plasmas using the quantum electrodynamical (QED) approach has been constructed to analyze the quantum effects, relativistic corrections, and electromagnetic interactions. Considering…
In this paper, we study the thermodynamics of short-range central potentials, namely, the Lee-Wick potential, and the Plasma potential. In the first part of the paper we obtain the numerical solution for the orbits equation for these…
It was aimed to determine whether plasma processing could contribute to enhanced capacitance and energy density of activated carbon electrode based electrochemical capacitors, through the formation of additional surface charges. While an…
In this work, we study the thermodynamic properties of quark-gluon plasma using Kramer's $q-potential$ method. We propose a modification in the first law of thermodynamics by including a temperature-dependent term when single particle…
We present the development and applications of a quadratic Spectral Neighbor Analysis Potential (q-SNAP) for ferromagnetic cobalt. Trained on Density Functional Theory calculations using the Perdew-Burke-Ernzerhof (DFT-PBE) functional, this…
The pressure and internal energy of an ultracold plasma in a state of quasi-equilibrium are evaluated using classical molecular dynamics simulations. Coulomb collapse is avoided by modeling electron-ion interactions using an attractive…
We present an approach to extend plasma transport theory into the Warm Dense Matter (WDM) regime characterized by moderate Coulomb coupling and electron degeneracy. It is based on a recently proposed closure of the BBGKY hierarchy that…
Aims. We calculate the plasma environment effects on the ionization potentials (IPs) and K-thresholds used in the modeling of K lines for all the ions belonging to the isonuclear sequences of abundant elements apart from oxygen and iron,…
The interaction between energetic particles (EPs) and ion temperature gradient (ITG) modes is studied using the global particle in cell ORB5 code. In this work, we extend previous studies to a broader range of EP temperatures, including the…
Based on the favourable properties of previously used one-dimensional (1D) atomic model potentials, we introduce a novel 1D atomic model potential for the 1D simulation of the quantum dynamics of a single active electron atom driven by a…
The high-energy repulsive interaction between nuclei at distances much smaller than the equilibrium bond length is the key quantity determining the nuclear stopping power and atom scattering in keV and MeV radiation events. This interaction…
The Dirac exchange interaction is derived from recent quantum kinetic theory for collisionless plasmas. For this purpose, the kinetic equation is written in the semiclassical and long wavelength approximations. The validity of the model for…
We present a model for the rate of temperature relaxation between electrons and ions in plasmas. The model includes self-consistently the effects of particle screening, electron degeneracy and correlations between electrons and ions. We…
Based on a plausible requirement for the ground state density, we introduce a novel one-dimensional (1D) atomic model potential for the 1D simulation of the quantum dynamics of a single active electron atom driven by a strong, linearly…