State- and Property - Specific Quantum Chemistry and Physics II Theory and Calculation of Spectra and Dynamics Field - Free | 40.34 MB
Title: State- and Property - Specific Quantum Chemistry and Physics II Theory and Calculation of Spectra and Dynamics Field - Free
Author: Cleanthes A. Nicolaides
Category: Nonfiction, Science & Nature, Science, Chemistry, Physical & Theoretical, Physics, Mathematical Physics, Quantum Theory
Language: English | 640 Pages | ISBN: 9783032097606
Description:
This book, the second volume of a two-part monograph, consists mainly of State- and Property-Specific Approach (SPSA) formulations for the efficient calculation of properties and of phenomena in N-electron atoms and molecules. Its bulk deals with nonperturbative solutions of the many-electron, time-independent or time-dependent Schrӧdinger equations using Hermitian or non-Hermitian (complex energy) constructions that account consistently for the contribution of both the discrete and the multichannel continuous spectra. It covers a wide range of applications, including the prediction of spectra and properties of excited discrete and resonance (autoionizing, autodissociating) states, the construction of diabatic molecular states and their use in real systems for solving problems of reaction and of molecular bonding, multiphoton ionization and dissociation (including tunneling), field-induced partial and total energy shifts and decay rates, properties of negative ions in ground or excited open-shell states, ultrafast electron dynamics and electron rearrangements on femtosecond and attosecond timescales, and other topics.
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