Related papers: A quantum reactive scattering perspective on elect…
We present a state-space-based path integral method to calculate the rate of electron transfer (ET) in multi-state, multi-electron condensed-phase processes. We employ an exact path integral in discrete electronic states and continuous…
Scattering of electrons from chiral spin textures such as the skyrmions is an emerging research area due to its richness in topological quantum transport, which is significant for spintronic devices. We study the dynamical process of…
The potential scattering of electrons carrying non--zero quanta of the orbital angular momentum (OAM) is studied in a framework of the generalized Born approximation, developed in our recent paper by Karlovets \textit{et al.}, Phys. Rev. A.…
We present a new formulation of the correlated electron-ion dynamics (CEID) scheme, which systematically improves Ehrenfest dynamics by including quantum fluctuations around the mean-field atomic trajectories. We show that the method can…
A novel method of coherent manipulation of the electron tunneling in quantum-dots is proposed, which utilizes the quantum interference in nonadiabatic double-crossing of the discrete energy levels. In this method, we need only a smoothly…
We consider a single electron traveling along a strictly one-dimensional quantum wire interacting with another electron in a quantum ring capacitively coupled to the wire. We develop an exact numerical method for treating the scattering…
A new approach is described to the evaluation of the S-matrix in three-dimensional atom-diatom reactive quantum scattering theory. The theory is developed based on natural collision coordinates where progress along the reaction coordinate…
Based on an invariant embedding principle for the backscattering function we calculate the electron emission yield for metal surfaces at very low electron impact energies. Solving the embedding equation within a quasi-isotropic…
The quantum normal form approach to quantum transition state theory is used to compute the cumulative reaction probability for collinear exchange reactions. It is shown that for heavy atom systems like the nitrogen exchange reaction the…
We present theoretical predictions for electron scattering on the N = 14, 20, and 28 isotonic chains from proton-deficient to proton-rich nuclei. The calculations are performed within the framework of the distorted-wave Born approximation…
We present a scattering-state description for the non-equilibrium multichannel charge transport in the presence of electron-vibration couplings. It is based on an expansion of scattering orders of eigenchannel states. Examining charge…
Energy transfer during molecular collisions on metal surfaces plays a pivotal role in a host of critical interfacial processes. Despite significant efforts, our understanding of relevant energy transfer mechanisms, even in an…
We propose an analytical model based on diffusion-reaction equation approach for electrochemical electron transfer reaction, where the rate is limited by the electron transfer process. The electron transfer from an ion in solution to the…
We show that time-resolved x-ray scattering from molecules prepared in a superposition of electronic states moving through an avoided crossing has new features not found in diffraction from the corresponding classical mixed state.…
We calculate accurate potential energy curves for a ground-state He$^+$ ion interacting with a He atom in the lowest-energy metastable $^3\!S$ electronic state. We employ the full configuration interaction method, equivalent to exact…
We present a detailed derivation and numerical tests of a new mixed quantum-classical scheme to deal with non-adiabatic processes. The method is presented as the zero-th order approximation to the exact coupled dynamics of electrons and…
We report a variational approach to the nonlinearly screened interaction of charged particles with a many-electron system. This approach has been developed by introducing a modification of the Schwinger variational principle of scattering…
Accurate description of nonadiabatic dynamics of molecules at metal surfaces involving electron transfer has been a longstanding challenge for theory. Here, we tackle this problem by first constructing high-dimensional neural network…
We investigate quantum dynamics of a generic model of light-matter interaction in the context of high impedance waveguides, focusing on the behavior of the emitted photonic states, in the framework of the spin-boson model Quantum quenches…
This report presents a new approach for treating the coupling of electrons and nuclei in quantum mechanical calculations for molecules and condensed matter. It includes the standard "Born-Oppenheimer approximation" as a special case but…