State- and Property-Specific Quantum Chemistry and Physics II - Theory and Calculation of Spectra and Dynamics. Field-Free and Field-Induced Nonstationary States

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 Schrödinger 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.

List of contents

Excited and highly excited states. Unified description of discrete and continuous spectra.- Diabatic states: A state-specific construction for the solution of molecular problems.- Multiply excited states.- Complex-eigenvalue Schrödinger equation theory for N-electron resonance states.- Many-electron theory and methods for the calculation of field-induced resonance states.- Negative ions of atoms and of diatomics in excited discrete or resonance states.- Solution of the many-electron, time-dependent Schrödinger equation, and applications.

Product details

• Authors: Cleanthes A Nicolaides, Cleanthes A. Nicolaides
• Publisher: Springer, Berlin
• Languages: English
• Product format: Hardback
• Release: 01.01.2026
• EAN: 9783032097590
• ISBN: 978-3-0-3209759-0
• No. of pages: 638
• Illustrations: XI, 638 p. 104 illus., 2 illus. in color.
• Series: Lecture Notes in Chemistry
• Subjects: Natural sciences, medicine, IT, technology > Chemistry > Theoretical chemistry; Quantenphysik (Quantenmechanik und Quantenfeldtheorie), Mathematische Physik, Quantum Physics, Theoretical Chemistry, Mathematical Methods in Physics, Quantum Chemistry, theoretical and experimental results, complex eigenvalue Schrӧdinger equation, SPSA formulations and applications, multiply excited states, time-dependent Schrӧdinger equation, field-induced resonance states, negative ions, field-free decaying states, unified K-matrix/CI theory, time-resolved processes of electronic rearrangements, diabatic states