Related papers: RichMol: A general variational approach for rovibr…
The phenomenon of molecular optical activity manifests itself as the rotation of the plane of linear polarization when light passes through chiral media. Measurements of optical activity and its wavelength dependence, optical rotatory…
Sources of long wavelength radiation are naturally described by an effective field theory (EFT) which takes the form of a multipole expansion. Its action is given by a derivative expansion where higher order terms are suppressed by powers…
We describe in detail the method for Particle-in cell/Monte-Carlo simulation of electron cyclotron resonance (ECR) discharges. In the simulation, electric and magnetic fields are obtained by solving Maxwell equations, and electrons and ions…
We develop a simple model of shape resonances in electron-molecule collisions that is based on the modified effective-range expansion and analytical solutions of the Schrodinger equation for the long-range part of the interaction potential.…
Extensions and improvements of empirical force fields are discussed in view of applications to computational vibrational spectroscopy and reactive molecular dynamics simulations. Particular focus is on quantitative studies which make…
We present a method to perform a variational analysis of the quantum master equation for driven-disspative bosonic fields with arbitrary large occupation numbers. Our approach combines the P representation of the density matrix and the…
We explore the electronic structure and rovibrational properties of an ultralong-range triatomic Rydberg molecule formed by a Rydberg atom and a ground state heteronuclear diatomic molecule. We focus here on interaction of Rb($27s$) Rydberg…
In what has been described as the fourth age of Quantum Chemistry, variational nuclear motion programs are now routinely being used to obtain the vibration-rotation levels and corresponding wavefunctions of small molecules to the sort of…
We present a novel formulation of the vibrational density matrix renormalization group (vDMRG) algorithm tailored to strongly anharmonic molecules described by general high-dimensional model representations of potential energy surfaces. For…
An alternative method is introduced to solve a simple two-dimensional models describing vibrational excitation and dissociation processes during the electron-molecule collisions. The model works with one electronic and one nuclear degree of…
We extend the standard second order effective chiral Lagrangian of pions and nucleons by considering the coupling to an external gravitational field. As an application we calculate one-loop corrections to the one-nucleon matrix element of…
We describe a method of selective generation and study of polarization moments of up to the highest rank $\kappa=2F$ possible for a quantum state with total angular momentum $F$. The technique is based on nonlinear magneto-optical rotation…
Various procedures for expressing the multipolar expansion of the electromagnetic field are considered with application to the calculation of the radiated power. Some results from literature are discussed and perspective of developing the…
We study Maxwell equations in the external background spacetime of a slowly rotating magnetized NUT star and find analytical solutions for the exterior electric fields after separating the equations of electric field into angular and radial…
We have computed models of rotating relativistic stars with a toroidal magnetic field and investigated the combined effects of magnetic field and rotation on the apparent shape (i.e. the surface deformation), which could be relevant for the…
A class of exact solutions of the Einstein-Maxwell equations is presented which contains infinite sets of gravitoelectric, gravitomagnetic and electromagnetic multipole moments. The multipolar structure of the solutions indicates that they…
A semiempirical parametric method is proposed for modeling three-dimensional (time-resolved) vibronic spectra of polyatomic molecules. The method is based on the use of the fragment approach in the formation of molecular models for excited…
We develop a computational method for modeling electrostatic interactions of arbitrarily-shaped, polarizable objects on colloidal length scales, including colloids/nanoparticles, polymers, and surfactants, dispersed in explicit ion…
We outline a general formalism for treating vacuum polarization phenomena within an effective field expansion. The coupling between source charges and virtual fields is examined from the perspectives of electrostatic potentials, induced…
In the frame of the algebraic Riemann Rotational Model one computes the longitudinal, transverse and toroidal multipoles corresponding to the excitations of low-lying levels in the ground state band of several even-even nuclei by inelastic…