Computation of Atomic and Molecular Processes
Introducing the ATOM-M Software Suite
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Beschreibung
This book presents numerical methods for solving a wide range of problems associated with the structure of atoms and simplest molecules, and their interaction with electromagnetic radiation, electrons, and other particles. It introduces the ATOM-M software package, presenting a unified software suite, written in Fortran, for carrying out precise atomic and molecular numeric calculations.
The book shows how to apply these numerical methods to obtain many different characteristics of atoms, molecules, and the various processes within which they interact. In an entirely self-sufficient approach, it teaches the reader how to use the codes provided to build atomic and molecular systems from the ground up and obtain the resulting one-electron wave functions. The computational programs presented and made available in this book allow calculations in the one-electron Hartree–Fock approximation and take into account many-electron correlations within the framework of the random-phase approximation with exchange or many-body perturbation theory.
Ideal for scholars interested in numerical computation of atomic and molecular processes, the material presented in this book is useful to both experts and novices, theorists, and experimentalists.This book presents numerical methods for solving a wide range of problems associated with the structure of atoms and simplest molecules, and their interaction with electromagnetic radiation, electrons, and other particles. It introduces the ATOM-M software package, presenting a unified software suite, written in Fortran, for carrying out precise atomic and molecular numeric calculations.
The book shows how to apply these numerical methods to obtain many different characteristics of atoms, molecules, and the various processes within which they interact. In an entirely self-sufficient approach, it teaches the reader how to use the codes provided to build atomic and molecular systems from the ground up and obtain the resulting one-electron wave functions. The computational programs presented and made available in this book allow calculations in the one-electron Hartree–Fock approximation and take into account many-electron correlations within the framework of the random-phase approximation with exchange or many-body perturbation theory.
Ideal for scholars interested in numerical computation of atomic and molecular processes, the material presented in this book is useful to both experts and novices, theorists, and experimentalists.Presents and makes available an entire Fortran software suite for calculating almost any atomic process Teaches the reader how to build atomic and molecular systems from the ground up using the code provided Appeals to theoreticians, computational experts, and experimentalists alike
Autor*in
Miron Ya. Amusia
Themen in »Computation of Atomic and Molecular Processes«
Hartree-Fock Wave Functions for Atoms Hartree-Fock Wave Functions for Two-Atomic Molecules Computation of Atomic Processes Wave Functions of Two-Atomic Molecules Random Phase Approximation with Exchange Auger Decay Radiative Decay Bremsstrahlung with Account of Target Polarizability Electron Scattering Cross-Section Photoionization Cross-Sections Generalized Oscillator Strengths Atomic Processes Software Package Molecular Processes Software Package