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The influence of inner electrons on the ionization dynamics in strong laser fields is investigated in a wavelength regime where the inner electron dynamics is usually assumed to be negligible. The role of inner electrons is of particular…

Atomic Physics · Physics 2014-03-11 J. Rapp , D. Bauer

We describe new exact results for a model of ionization of a bound state, induced by an oscillating potential. In particular we have obtained exact expressions, in the form of readily computable rapidly convergent sums, for the energy…

Mathematical Physics · Physics 2017-10-17 Ovidiu Costin , Rodica D. Costin , Joel L. Lebowitz

With a semiclassical quasi-static model we achieve an insight into the complex dynamics of two correlated electrons under the combined influence of a two-center Coulomb potential and an intense laser field. The model calculation is able to…

Atomic and Molecular Clusters · Physics 2009-11-13 J. Liu , D. F. Ye , J. Chen , X. liu

We identify peak and valley structures in the exact exchange-correlation potential of time-dependent density functional theory that are crucial for time-resolved electron scattering in a model one-dimensional system. These structures are…

Chemical Physics · Physics 2018-01-03 Yasumitsu Suzuki , Lionel Lacombe , Kazuyuki Watanabe , Neepa T. Maitra

We consider electronic exchange and correlation effects in density-functional calculations of two-dimensional systems. Starting from wave function calculations of total energies and electron densities of inhomogeneous model systems, we…

Mesoscale and Nanoscale Physics · Physics 2012-05-30 Ilja Makkonen , Mikko M. Ervasti , Ville Kauppila , Ari Harju

We investigate electron correlation effects in internuclear-distance-dependent enhanced ionization of $\mathrm{H}_2$, $\mathrm{LiH}$, and $\mathrm{HF}$ molecules by intense near-infrared laser pulses using a 3D description of the systems…

Atomic Physics · Physics 2019-02-27 Siddhartha Chattopadhyay , Lars Bojer Madsen

The exact factorization of an electron-nuclear wavefunction [A. Abedi, N. T. Maitra, and E. K. U. Gross, Phys. Rev. Lett. 105, 123002 (2010)] allows us to define the rigorous nuclear time-dependent Schr\"{o}dinger equation (TDSE) with a…

Chemical Physics · Physics 2016-11-03 Yasumitsu Suzuki , Kazuyuki Watanabe

We introduce a new functional for simulating ground-state and time-dependent electronic systems within density-functional theory. The functional combines an expression for the exact Kohn-Sham (KS) potential in the limit of complete electron…

Mesoscale and Nanoscale Physics · Physics 2021-01-15 M. J. P. Hodgson , J. D. Ramsden , T. R. Durrant , R. W. Godby

Most nuclear structure calculations, even for full configuration interaction approaches, are performed within truncated model spaces. These require consistent transformations of the Hamiltonian and operators to account for the missing…

Nuclear Theory · Physics 2019-08-21 Francesco Raimondi , Carlo Barbieri

The effective potential of electron--electron interaction and the two-particle \textquotedblleft density--density\textquotedblright\ correlation function have been calculated for a simple semiinfinite metal making allowance for the…

Mesoscale and Nanoscale Physics · Physics 2015-03-29 B. M. Markovych , I. M. Zadvorniak

An exact quantization rule for the Schr\"{o}dinger equation is presented. In the exact quantization rule, in addition to $N\pi$, there is an integral term, called the quantum correction. For the exactly solvable systems we find that the…

Computational Physics · Physics 2015-06-26 Zhong-Qi Ma , Bo-Wei Xu

We analytically construct the wave function that, for a given initial state, produces a prescribed density for a quantum ring with two non-interacting particles in a singlet state. In this case the initial state is completely determined by…

Strongly Correlated Electrons · Physics 2013-08-23 M. Ruggenthaler , S. E. B. Nielsen , R. van Leeuwen

In the present communication the Bayesian conditional probability approach is applied to the wave function of a many-electron system that results in appearance of a quantum vector potential in the DFT Schrodinger equation due to electron…

Chemical Physics · Physics 2012-12-05 R. Tsekov , G. N. Vayssilov

This work investigates the motion of a non-relativistic charged particle within the spacetime of a global monopole. We introduce the Schr\"odinger equation to describe the particle's motion with two interactions by considering the Kratzer…

The potentials $V (v)$ in the nonrelativistic (relativistic) nucleon-nucleon (NN) Schroedingerequation are related by a quadratic equation. That equation is numerically solved, thus providing phase equivalent v- potentials related for…

Nuclear Theory · Physics 2008-11-26 H. Kamada , W. Gloeckle

We present the first theoretical treatment of the formation of highly excited neutral H atoms (H$^{*}$) for strongly driven H$_{2}$. This process, with one electron ionizing and one captured in a Rydberg state, was recently reported in an…

Atomic Physics · Physics 2015-05-28 A. Emmanouilidou , D. Tchitchekova , C. Lazarou , U. Eichmann

We formulate a three-dimensional semi-classical model to address triple and double ionization in three-electron atoms driven by intense infrared laser pulses. During time propagation, our model fully accounts for the Coulomb singularities,…

Atomic Physics · Physics 2022-04-20 M. B. Peters , G. P. Katsoulis , A. Emmanouilidou

A simple explanation is given for the exactness of the extended Koopmans' theorem for computing the removal energy of any many-electron system to the lowest-energy ground state ion of a given symmetry. In particular, by removing the…

We consider a quantum particle in a 1D interval submitted to a potential. The evolution of this particle is controlled using an external electric field. Taking into account the so-called polarizability term in the model (quadratic with…

Optimization and Control · Mathematics 2013-09-27 Morgan Morancey , Vahagn Nersesyan

Local(multiplicative) effective potential energy theories of electronic structure comprise the transformation of the Schr{\"o}dinger equation for interacting fermi systems to model noninteracting fermi or bose systems whereby the equivalent…

Atomic Physics · Physics 2009-11-07 Xiao-Yin Pan , Viraht Sahni
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