Related papers: Reaction Rate Theory for Electric Field Catalysis …
Nonlinear relativistic ionization phenomena induced by a strong linearly polarized laser field are considered. The starting point is the classical relativistic action for a free electron moving in the electromagnetic field created by a…
We compute the transition amplitudes between charged particles of mass $M$ and $m$ accelerated by a constant electric field and interacting by the exchange of quanta of a third field. We work in second quantization in order to take into…
The atmospheric reaction of H$_2$S with Cl has been reinvestigated to check if, as previously suggested, only explicit dynamical computations can lead to an accurate evaluation of the reaction rate because of strong recrossing effects and…
Relatively little is known about the dynamics of electron transfer reactions at low collision energy. We present a study of Penning ionization of ground state methyl fluoride molecules by electronically excited neon atoms in the 13…
An external electric field (EEF) can impact a broad range of catalytic processes beyond redox systems. Computational design of catalysts under EEFs targeting specific operation conditions essentially requires accurate predictions of the…
We present a field-theoretical description of the deuteron electrodisintegration reaction d(e,e'p)n induced by unpolarized and polarized electrons. The approach combines the Lehmann-Symanzik-Zimmermann in(out) formalism with the clothed…
We address issues with extant formulations of dissipative effects in the effective field theory (EFT) which describes the post-Newtonian (PN) inspiral of two gravitating bodies by (re)formulating several parts of the theory. Novel…
The behavior of electrolyte solutions close to a charged surface is studied theoretically. A modified Poisson-Boltzmann equation which takes into account the volume excluded by the ions in addition to the electrostatic interactions is…
We discuss several aspects of the dielectric response theory application to the density functional theory. This field has been an unceasing source of confusion during several decades. The most frequent reasons for this confusion are (a)…
The electron-electron interaction corrections to the transport coefficients are calculated for a two-dimensional disordered metal in a parallel magnetic field via the quantum kinetic equation approach. For the thermal transport, three…
Charge transfer is a fundamental process that underlies a multitude of phenomena in chemistry and biology. Recent advances in observing and manipulating charge and heat transport at the nanoscale, and recently developed techniques for…
The ferroelectric thin film properties were calculated in phenomenological theory framework. Surface energy that defined boundary conditions for Euler-Lagrange differential equation was written as surface tension energy. The latter was…
We derive an equation capable of treating both the electrostatic and non-electrostatic interactions in the charged liquids. The equation derived is a complex version of the Poisson-Boltzmann equation, in which the non-electrostatic…
A critical challenge for density functional theory (DFT) in practice is its limited ability to treat static electron correlation, leading to errors in its prediction of charges, multiradicals, and reaction barriers. Recently, we combined…
We investigate the effects of an electric current on the width of a stationary reaction zone in an irreversible A^- + B^+ -> C reaction-diffusion process. The ion dynamics of the electrolytes A = (A^+, A^-) and B = (B^+, B^-) is described…
We propose a new semiclassical approach based on the dynamical mean field theory to treat the interactions of electrons with local lattice fluctuations. In this approach the classical (static) phonon modes are treated exactly whereas the…
The electric field dielectric polarization-based separations mechanism represents a novel method for separating solutions at small length scales. An electric field gradient with a maximum strength of $\mathrm{0.4~MV/m}$ applied across a…
A pseudospin model for description of the influence of the electric field, confined to the plane of sublattice polarization, on the two-dimensional squaric acid antiferroelectrics is developed. The system behavior is analyzed in terms of…
Coherent state path integrals are applied to a many-body problem for non-relativistic electrons in a central potential and an external magnetic field; however, in comparison to previous coherent state path integrals, we definitely fix the…
Liquid states theories have emerged as a numerically efficient alternative to costly molecular dynamics simulations of electron transfer reactions in solution. In a recent paper [Chem. Sci., 2019, 10, 2130], we introduced the framework to…