Titlebook: Computation of Atomic and Molecular Processes; Introducing the ATOM Miron Ya. Amusia,Larissa V. Chernysheva Book 2021 The Editor(s) (if app

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Short Review,cules, fullerenes, and endohedrals are discussed, definitions of concepts that are used throughout the book are given, and a diagrammatic description of all the processes under consideration is presented.

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,Wave Functions of the Ground State of Atoms and Simple Molecules in the Hartree–Fock Approximation, to solve these equations is determined by the fact that many of the processes under consideration are nonrelativistic, while the solution of relativistic equations for many calculations related to intermediate and outer atomic shells is much more complicated and, in fact, is not necessary, although

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,Wave Functions of Excited States of Atoms and Simple Molecules in the Hartree–Fock Approximation,ses the simplest approach to calculating one-particle wave functions in discrete and continuous spectra. In this case, as a rule, the so-called frozen core approximation is used, in which it is assumed that the excitation of one electron does not affect the wave functions of the rest.

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,Wave Functions of an Excited State of an Atom in the Hartree–Fock–Dirac Approximation,ited states. This chapter proposes the simplest approach to calculating one-particle wave functions in discrete and continuous spectra. In this case, as a rule, the frozen core approximation is used, in which it is assumed that the excitation of one electron does not affect the others.

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Scattering Cross Section of Fast Electrons, Generalized Oscillator Strengths, and the Compton Effecle. This chapter describes how to calculate GOS for electrons in the one-particle Hartree–Fock and RPAE approximations that account for the interaction of various transitions. RPAE equations are presented for the matrix elements of GOS, which are solved by methods similar to those described in Chap.

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Non-radiative or Auger Vacancy Decay,rections in this process in the framework of RPAE and perturbation theory. A method is presented to calculate the probability of double Auger decay, i.e., a process in which two vacancies decay with the transfer of their energy to one escaping electron. Formulas are given for the amplitude of the pr