Related papers: The Exact Potential Driving the Electron Dynamics …
Exact one-electron eigenstates in finite parts of 1D periodic and Fibonacci chains of attractive and repulsive delta potentials are computed and analyzed. Bloch and bound state boundary conditions are related in terms of transfer matrices.…
We derive a rigorous optical potential for electron-molecule scattering including the effects of nuclear dynamics by extending the common many-body Green's function approach to optical potentials beyond the fixed-nuclei limit for molecular…
We present numerically exact solutions to the full-dimensional Schrodinger Equation for the few-electron gas (few-EG) model of electronic structure theory. Our core methodology uses a Sum-of-Products (SOP) representation of singular…
The influence of nuclear polarization on the bound-electron $g$ factor in heavy hydrogenlike ions is investigated. Numerical calculations are performed for the K- and L-shell electrons taking into account the dominant virtual nuclear…
We closely investigate NN potentials based upon the Delta-full version of chiral effective field theory. We find that recently constructed NN potentials of this kind, which (when applied together with three-nucleon forces) were presented as…
A theoretical description of time correlation functions for electron properties in the presence of a positive ion of charge number Z is given. The simplest case of an electron gas distorted by a single ion is considered. A semi-classical…
The electronic conductance of a molecule making contact to electrodes is determined by the coupling of discrete molecular states to the continuum electrode density of states. Interactions between bound states and continua can be modeled…
Two-color laser fields offer significantly enhanced control over electron excitation dynamics under ultrashort intense laser pulses compared to monochromatic fields. However, their strong nonlinearity necessitates computationally expensive…
Based on an analysis of the short range chemical environment of each atom in a system, standard machine learning based approaches to the construction of interatomic potentials aim at determining directly the central quantity which is the…
Electron-electron correlation forms the basis of difficulties encountered in many-body problems. Accurate treatment of the correlation problem is likely to unravel some nice physical properties of matter embedded in this correlation. In an…
We present a method for retrieving of single-active electron potential in an atom or molecule from a given momentum distribution of photoelectrons ionized by a strong laser field. In this method the potential varying within certain limits…
We study the {\it quasi-classical limit} of a quantum system composed of finitely many non-relativistic particles coupled to a quantized field in Nelson-type models. We prove that, as the field becomes classical and the corresponding…
The Schr\"odinger theory of electrons in an external electromagnetic field can be described from the perspective of the individual electron via the `Quantal Newtonian' laws (or differential virial theorems). These laws are in terms of…
In this work we define single-particle potentials for a positron and a positronium atom interacting with light atoms (H, He, Li and Be) by inverting a single-particle Schr\"odinger equation. For this purpose, we use accurate energies and…
In this paper we derive an expression for the dynamic electric polarizability of a particle bound by a double delta potential for frequencies below and above the absolute value of the particle's ground state energy. The derived expression…
The bound states of a system consisting of two heavy identical atoms and one light electron interacting through the finite-range pairwise potentials are explored, focusing on their dependence on the electron-atom scattering length. In the…
We present an analysis of the two-dimensional Schrodinger equation for two electrons interacting via Coulombic force and confined in an anizotropic harmonic potential. The separable case of wy = 2wx is studied particularly carefully. The…
Frozen Density Embedding Theory (FDET) [Wesolowski {\it Phys. Rev. A} {\bf 77}, 012504 (2008)] provides the interpretation of the eigenvalue equations for an embedded $N'$-electron wavefunction, in which the embedding operator is…
In this thesis we present a new formalism to study linear and non-linear response in extended systems. Our approach is based on real-time solution of an effective Schr\"odinger equation. The coupling between electrons and external field is…
The time independent Schoedinger equation for two electrons confined in a parabolic external potential is solved. Developing this solution in terms of a dimensionless variable it is demonstrated that parameterization of the strength of the…