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Ionization rates and Stark shifts of H$_2$, CO, O$_2$, H$_2$O, and CH$_4$ in static electric fields have been computed with coupled-cluster methods in a basis set of atom-centered Gaussian functions with complex-scaled exponent.…

Chemical Physics · Physics 2018-06-13 Thomas-C. Jagau

We develop a time-dependent theory to investigate electron dynamics and photoionization processes of diatomic molecules interacting with strong laser fields including electron-electron correlation effects. We combine the recently formulated…

Chemical Physics · Physics 2016-02-02 Henrik R. Larsson , Sebastian Bauch , Lasse Kragh Sørensen , Michael Bonitz

Simulations of the generation of the atomic polarization is necessary for interpreting the second solar spectrum. For this purpose, it is important to rigorously determine the effects of the isotropic collisions with neutral hydrogen on the…

Solar and Stellar Astrophysics · Physics 2016-08-24 Moncef Derouich

In this work we present a new method of approximating the continuum wavefunctions with a discrete basis set. This method aims to be at least compatible with other well known methods of the electronic structure theory to describe processes…

Chemical Physics · Physics 2019-09-18 Mateusz S. Szczygieł , Michał Lesiuk , Robert Moszynski

We study the exchange coupling in small Wigner crystals confined to one-dimensional space. In particular we concentrate on the simplest nontrivial case of two electrons in a box potential and calculate analytically the energy splitting…

Strongly Correlated Electrons · Physics 2025-12-30 Daniele Lagasco , Zoran Ristivojevic

Simulations of relativistic heavy-ion collisions within the three-fluid model employing a purely hadronic equation of state (EoS) and two versions of the EoS involving deconfinement transition are presented. The latter are an EoS with the…

Nuclear Theory · Physics 2014-01-23 Yu. B. Ivanov

We describe a method for the calculation of photoionization cross-sections using square-integrable amplitudes obtained from the diagonalization of finite-basis set representations of the electronic Hamiltonian. Three examples are…

Atomic Physics · Physics 2017-02-01 Alex Kozlov , Saumitra Saha , Harry Quiney

The factorial moments (FM) of multiplicity distribution are used to study the deconfinement phase transition in heavy-ion collisions. The relation between FM and the partition number, $M$, results positive intermittency exponents, $\phi_q$.…

High Energy Physics - Phenomenology · Physics 2007-05-23 Abdelnasser M. Tawfik

Multiple electron processes occur widely in atoms, molecules, clusters, and condensed matters when they are interacting with energetic particles or intense laser fields. In this work, a unified and accurate theoretical formalism is proposed…

Atomic Physics · Physics 2018-04-18 Pengfei Liu , Jiaolong Zeng , Jianmin Yuan

A method of solving the time-dependent Schr\"odinger equation is presented, in which a finite region of space is treated explicitly, with the boundary conditions for matching the wave-functions on to the rest of the system replaced by an…

Materials Science · Physics 2009-11-13 J. E. Inglesfield

The importance of multi-electron dynamics during the tunnel ionization of a correlated quantum system is investigated. By comparison of the solution of the time-dependent Schr\"odinger equation (TDSE) with the time-dependent configuration…

Atomic Physics · Physics 2016-05-23 Maximilian Hollstein , Daniela Pfannkuche

The dissociative ionization of $H_2^+$ in a linearly polarized, 400 nm laser pulse is simulated by solving a three-particle time-dependent Schr\"odinger equation in full dimensionality without using any data from quantum chemistry…

Atomic Physics · Physics 2021-01-26 Jinzhen Zhu

Analysis of directed flow ($v_1$) of protons, antiprotons and pions in heavy-ion collisions is performed in the range of collision energies $\sqrt{s_{NN}}$ = 2.7--39 GeV. Simulations have been done within a three-fluid model employing a…

Nuclear Theory · Physics 2016-01-26 Yu. B. Ivanov , A. A. Soldatov

Based on the microscopic model, the friction coefficient for the relative motion of nuclei in deep-inelastic heavy-ion collisions is calculated. The radial dependence of the friction coefficient is studied and the results are compared with…

Nuclear Theory · Physics 2008-11-26 G. G. Adamian , R. V. Jolos , A. K. Nasirov , A. I. Muminov

An adaptation of the convergent close-coupling method (CCC) to calculation of differential ionization cross sections is analyzed in the context of the Temkin-Poet model. The asymptotic scattering wave functions and the unitarity relation…

Atomic Physics · Physics 2009-10-31 Andris T. Stelbovics

We discuss theoretically ion-atom collisions at low energy and predict the possibility of formation of cold molecular ion by photoassociation. We present results on radiative homo- and hetero-nuclear atom-ion cold collisions that reveal…

Atomic Physics · Physics 2011-09-06 Arpita Rakshit , Bimalendu Deb

A subsystem approach for obtaining electron binding energies in the valence region and apply it to the case of halide ions (X$^-$, X = F-At) in water. This approach is based on electronic structure calculations combining the relativistic…

Ps ionization in Ps-atom scattering is of fundamental importance. The singly differential cross sections (SDCS) provides more accurate information to test a theory than integrated or total ionization cross section since the averaging over…

Atomic Physics · Physics 2008-08-29 Hasi Ray

A one-electron Schroedinger equation based on special one-electron potentials for atoms is shown to exist that produces orbitals for an arbitrary molecule that are sufficiently accurate to be used without modification to construct single-…

Chemical Physics · Physics 2022-05-16 Jerry L. Whitten

Electronic excitations and ionisations produced by electron impact are key processes in the radiation-induced damage mechanisms in materials of biological relevance, underlying important medical and technological applications, including…

Chemical Physics · Physics 2021-08-04 Pablo de Vera , Isabel Abril , Rafael Garcia-Molina
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