Potential energy surfaces for electron dynamics from a model of localized Gaussian wave packets with valence-bond spin-coupling: High-harmonic generation spectra from H and He atoms

Electron wave packet modeling of chemical bonding: Floating and breathing minimal packets with perfect-pairing valence-bond spin coupling

Coupled wave-packets for non-adiabatic molecular dynamics: a generalization of Gaussian wave-packet dynamics to multiple potential energy surfaces

Accurate simulation of the non-adiabatic dynamics of molecules in excited electronic states is key to understanding molecular photo-physical processes. Here we present a novel method, based on a semiclassical approximation, that is as efficient as the commonly used mean field Ehrenfest or ad hoc surface hopping methods and properly accounts for interference and decoherence effects. This novel m...

ELECTRON ENERGY SPECTRA OF H- AUTODETACHING STATES RESULTING FROM COLLISIONS OF H- WITH He AT

Electron energy spectra for Hautodetaching states resulting from collisions of H' with He at 1 keV are rigorously calculated by including couplings between doubly excited states and continuum states and their interference with direct detachment processes. An energy sampling procedure, based on the Gauss quadratures, is used to discretize continuum states. The present theoretical result, for the...

the role of russia in transmission of energy from central asia and caucuses to european union

پس ازفروپاشی شوروی،رشد منابع نفت و گاز، آسیای میانه و قفقاز را در یک بازی ژئوپلتیکی انرژی قرار داده است. با در نظر گرفتن این منابع هیدروکربنی، این منطقه به یک میدانجنگ و رقابت تجاری برای بازی های ژئوپلتیکی قدرت های بزرگ جهانی تبدیل شده است. روسیه منطقه را به عنوان حیات خلوت خود تلقی نموده و علاقمند به حفظ حضورش می باشد تا همانند گذشته گاز طبیعی را به وسیله خط لوله مرکزی دریافت و به عنوان یک واس...

Track Structure Model for Radial Distributions of Electron Spectra and Event Spectra From High-Energy Ions

An analytic method is described for evaluating the average radial electron spectrum and the radial and total frequency-event spectrum for high-energy ions. For high-energy ions, indirect events make important contributions to frequencyevent spectra. The method used for evaluating indirect events is to fold the radial electron spectrum with measured frequency-event spectrum for photons or electr...