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Molecular Properties via Induced Current Densities

This book outlines past and new developments in molecular response theory in terms of static and dynamic-induced current densities and showcases an important step forward in the field of molecular density functions and their topological analysis. The book begins with a general perspective on topics...

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Autore principale: Summa, Francesco Ferdinando (Autore)
Ente Autore: SpringerLink (Online service)
Natura: Elettronico eBook
Lingua:inglese
Pubblicazione: Cham : Springer Nature Switzerland : Imprint: Springer, 2024.
Edizione:1st ed. 2024.
Serie:Springer Theses, Recognizing Outstanding Ph.D. Research,
Soggetti:
Chemistry, Physical and theoretical.
Chemistry > Data processing.
Atoms.
Molecules.
Quantum physics.
Physical chemistry.
Molecules > Models.
Theoretical Chemistry.
Computational Chemistry.
Atomic, Molecular and Chemical Physics.
Quantum Physics.
Physical Chemistry.
Molecular Modelling.
Accesso online:https://doi.org/10.1007/978-3-031-60159-0
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Sommario:
  • Introduction
  • General Definitions
  • Time-Independent Electron Current Density
  • Time-Dependent Perturbations
  • Implementation of Origin-Independent Dynamic Polarizability Density Within Coupled Cluster Response Theory
  • Conclusions and Outlook.

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