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A solution to the Boltzmann equation is obtained for a magnetized plasma with strongly degenerate nonrelativistic electrons and nondegenerate nuclei. The components of the diffusion, thermal diffusion and diffusion thermoeffect tensors in a…
Atom-in-jellium calculations of the Einstein frequency were used to calculate the mean displacement of an ion over a wide range of compression and temperature. Expressed as a fraction of the Wigner-Seitz radius, the displacement is a…
The dynamical description of correlated nuclear motion is based on a set of coupled equations of motion for the one-body density matrix $\rho (11';t)$ and the two-body correlation function $c_2(12,1'2';t)$, which is obtained from the…
The theory and experiments concerned with the electron-ion thermal relaxation and melting of overheated crystal lattice constitute the subject of this paper. The physical model includes two-temperature equation of state, many-body…
In this study, a mathematical model of neutron moderation is developed that accounts for the temperature of the fissile medium and the contribution of inelastic neutron scattering on heavy nuclei of uranium 238 in reactor cores. Within the…
Dissociative electron attachment, that is, the cleavage of chemical bonds induced by low-energy electrons, is difficult to model with standard quantum-chemical methods because the involved anions are not bound but subject to autodetachment.…
A model of particle interacting with quantum field is considered. The model includes as particular cases the polaron model and non-relativistic quantum electrodynamics. We compute matrix elements of the evolution operator in the stochastic…
Transitions among different mechanisms of two-proton decay are studied in general. The introduced improved direct-decay model generalizes the semi-analytical models used before and provides flawless phenomenological description of…
Unbiased stochastic sampling of the one- and two-body reduced density matrices is achieved in full configuration interaction quantum Monte Carlo with the introduction of a second, "replica" ensemble of walkers, whose population evolves in…
A two-electron one-dimensional model of a heteroatomic molecule composed of two open-shell atoms is considered. Including only two electrons isolates and examines the effect that the highest occupied molecular orbital has on the Kohn-Sham…
A deformed fermion gas model aimed at taking into account thermal and electronic properties of quasiparticle systems is devised. The model is constructed by the fermionic Fibonacci oscillators whose spectrum is given by a generalized…
In this work, we present an atomistic first-principles framework for modeling the low-temperature electronic and transport properties of disordered two-dimensional (2D) materials with randomly distributed point defects (impurities). The…
We report a detailed numerical investigation of a recently introduced two dimensional model for square-to-rectangle martensitic transformation that explains several unusual features of the martensitic transformation. This model includes…
The thermodynamic basis of classical mechanics is presented. In this framework, ideal Newtonian mechanics emerges as the zero-dissipation limit of a more general, dissipative theory. The thermodynamic approach predicts a novel dissipative…
The change of the vibrational energy within a molecule after collisions with another molecule plays an essential role in the evolution of molecular internal energy distributions, which is also the limiting process in the relaxation of the…
A dynamical model based on effective Lagrangians is proposed to describe the bremsstrahlung reaction $ \pi N \to \pi N \gamma$ at low energies. The $\Delta(1232)$ degrees of freedom are incorporated in a way consistent with both,…
A mean-field model to describe electron transfer processes in ion-molecule collisions at the $\hbar =0$ level is presented and applied to collisions involving water and ammonia molecules. Multicenter model potentials account for the…
A model in which a projectile like fragment can be simply regarded as a remnant after removal of some part of the projectile leads to an excited fragment. This excitation energy can be calculated with a Hamiltonian that gives correct…
A combination of first principle molecular dynamics (MD) simulations with a rate equation model (MD-RE approach) is presented to study the trapping and the scattering of rare gas atoms from metal surfaces. The temporal evolution of the atom…
We study the phase transition of the escape rate of exchange-coupled dimer of single-molecule magnets which are coupled either ferromagnetic ally or antiferromagnetically in a staggered magnetic field and an easy $z$-axis anisotropy. The…