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In this work, we systematically study the interactions of the $S$-wave $D^{(*)}\bar{B}^{(*)}$ systems within the framework of chiral effective field theory in heavy hadron formalism. We calculate the $D^{(*)}\bar{B}^{(*)}$ effective…
Transport coefficients and dielectric relaxation in liquids are often treated as distinct manifestations of molecular dynamics. We show that, in polar liquids, orientational dipolar fluctuations generate a substantial contribution to the…
Densities ($\rho$), speeds of sound ($c$), relative permittivities at 1 MHz ($\varepsilon_{\text{r}}$) and refractive indices at the sodium D-line ($n_{\text{D}}$) at $T$ = (293.15 K to 303.15 K) and $p$ = 0.1 MPa are reported for binary…
The effective interaction between a nucleon and a nucleus is one of the most important ingredients for reaction theories. Theoretical formulations were introduced early by Feshbach and Watson, and efforts of deriving and computing those…
We consider nonequilibrium transport in a simple chain of identical mechanical cells in which particles move around. In each cell, there is a rotating disc, with which these particles interact, and this is the only interaction in the model.…
The Regge features of elastic $K^\pm N\to K^\pm N$, and charge exchange $K^-p\to\bar{K}^0n$ and $K^+n\to K^0p$ reactions are described by using a combined analysis of all these channels at high momenta. Based on the meson exchanges in the…
It is shown that the dipole moment of polar (water, methanol, formamide, acetone and acetonitrile) molecules in the neighborhood of a cation is increased primarily by polarization from the bare electrostatic charge of the cation, although…
In this work, the memory equation approach is applied for theoretical study of dynamics of polar molecular liquids described by the interaction site model. The study includes the temperature-density(pressure) dependence of the translational…
Precipitation patterns emerging in a 2D moving front are investigated on the example of NaOH diffusing into a gel containing AlCl_3. The time evolution of the precipitate Al(OH)_3 can be observed since the precipitate redissolves in the…
The coexistence of electric dipoles and itinerant electrons in a solid was postulated decades ago, before being experimentally established in several 'polar metals' during the last decade. Here, we report a concentration-driven…
In this thesis we present a new formalism to study linear and non-linear response in extended systems. Our approach is based on real-time solution of an effective Schr\"odinger equation. The coupling between electrons and external field is…
Isothermal-isobaric molecular dynamics simulations are used to examine the microscopic structure and some properties of water-methanol liquid mixture. The TIP4P/2005 and SPC/E water models are combined with the united atom TraPPE and the…
We apply the method developed in Ref. [S.B.Chernyshuk and B.I.Lev, Phys.Rev.E, \textbf{81}, 041701 (2010)] for theoretical investigation of colloidal elastic interactions between axially symmetric particles in the confined nematic liquid…
The glassy dynamics of plastic-crystalline cyclo-octanol and ortho-carborane, where only the molecular reorientational degrees of freedom freeze without long-range order, is investigated by nonlinear dielectric spectroscopy. Marked…
We present in this paper the main structural features and enthalpy details for the energy profiles of the title reactions, both for the exothermic (forward) path to NH$_{3}$ formation and for the endothermic (reverse) reaction to…
Optimization and design of full-scale membrane distillation (MD) systems usually require Sherwood and Nusselt correlations that are developed from lab-scale systems. However, entrance effects in lab-scale systems can significantly impact…
The variation with energy of the total cross section for elastic electron scattering from atoms of several elements is caused primarily by shape resonances corresponding to the formation of temporary negative ions. It is shown that such…
We extend previous inelastic neutron scattering results on the geometrically frustrated antiferromagnet hexagonal-YMnO$_3$, which has been suggested to belong to the class of classical spin liquids. We extend the energy transfer coverage of…
Orbital and spin ordering phenomena in strongly correlated systems are commonly studied using the local-density approximation + dynamical mean-field theory approach. Typically, however, such simulations are restricted to simplified models…
The formation of H$^{3+}$ from ethane, propane, and butane dications was investigated with time-dependent density-functional theory (TDDFT) simulations. This approach offers the benefit of simultaneously addressing nuclear and electronic…