Related papers: Reaction Rate Theory for Electric Field Catalysis …
Modeling microstructure evolution in electrochemical systems is vital for understanding the mechanism of various electrochemical processes. In this work, we propose a general phase field framework that is fully variational and thus…
The free motion of charged colloids within ionic solutions and in the vicinity of charged boundaries, is a phenomenon that occurs in various natural, biological and industrial settings. Here, we develop an electrohydrodynamic lubrication…
The reactivity and mechanistic intricacies of azatrienes in Diels-Alder reactions have been relatively unexplored despite their intriguing potential applications. In this study, we employ Molecular Electron Density Theory to theoretically…
The non-relativistic interacting electron gas in an external field of positively charged massive cores is dealt with in the scheme of second quantization. Ladder operators that change between stationary states of contiguous energy…
FeRh has a phase transition from an antiferromagnetic state (low temperature) to a ferromagnetic state (high temperature) at 360 K. Various explanations for this behavior have been proposed over the past 20 years. However, many of the…
We extend a recently introduced semiclassical approach to calculating the influence of local lattice fluctuations on electronic properties of metals and metallic molecular crystals. The effective action of electrons in degenerate orbital…
We present a novel joint time-dependent density-functional theory for the description of solute-solvent systems in time-dependent external potentials. Starting with the exact quantum-mechanical action functional for both electrons and…
We study the prototypical SN2 reaction Cl$^-$ + CH$_3$Cl $\to$ CH$_3$Cl + Cl$^-$ in water using quantum mechanics / molecular mechanics (QM/MM) computer simulations with transition path sampling and inertial likelihood maximization. We have…
We consider the correction to conductivity of a 2D electron gas due to electron-electron interaction in the parallel magnetic field at arbitrary relation between temperature and the elastic mean free time. The correction exhibits…
Three analytic results are proposed for a linear form of the modified Poisson-Boltzmann equation in the theory of bulk electrolytes. Comparison is also made with the mean spherical approximation results. The linear theories predict a…
We present a continuation of our theoretical research into the influence of co-solvent polarizability on a differential capacitance of the electric double layer [EPL 111, 28002 (2015)]. We formulate a modified Poisson-Boltzmann theory,…
We explore the possibility of calculating electronic excited states by using perturbation theory along a range-separated adiabatic connection. Starting from the energies of a partially interacting Hamiltonian, a first-order correction is…
This paper concerns the existence of positive ground state solutions for generalized quasilinear Schr\"odinger equations in $\mathbb{R}^N$ with critical growth which arise from plasma physics, as well as high-power ultrashort laser in…
The exact Foldy-Wouthuysen transformation is performed in order to study the Dirac field interacting with many possible external fields associated with CPT-Lorentz violation. We also derived the calculation of equations of motion as well as…
Using the semi-classical method of Nikishov-Ritus (NR), the derivation of the transition rate of the beamstrahlung process is reviewed. This method uses the Bound Interaction Picture and the exact solutions of the Dirac equation in the…
A comparative analysis of three different time-independent approaches to studying open quantum structures in uniform electric field $\mathscr{E}$ was performed using the example of one-dimensional attractive or repulsive $\delta$-potential…
In this study we develop a mathematical model that describe the behavior of electromagnetic fields and heat transfer in closed electrical contacts that arises when instantaneous explosion of the micro-asperity which involves vaporization…
Polariton chemistry holds promise for facilitating mode-selective chemical reactions, but the underlying mechanism behind the rate modifications observed under vibrational strong coupling is not well understood. Using the recently developed…
A formulation of quantum electrodynamics is given that applies to atoms in a strong laser field by perturbation theory in a non-relativistic regime. Dipole approximation is assumed. The dual Dyson series, here discussed by referring it to…
We present an improved action for renormalizable effective field theories (EFTs) of systems near the two-body unitarity limit. The ordering of EFT interactions is constrained, but not entirely fixed, by the renormalization group. The…