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Excited States in Quantum Chemistry

Theoretical and Experimental Aspects of the Electronic Structure and Properties of the Excited States in Atoms, Molecules and Solids

  • Book
  • © 1979

Overview

Editors:
  1. Cleanthes A. Nicolaides

    1. Theoretical Chemistry Institute, National Hellenic Research Foundation, Athens, Greece

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    You can also search for this editor in PubMed   Google Scholar

  2. Donald R. Beck

    1. Theoretical Chemistry Institute, National Hellenic Research Foundation, Athens, Greece

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    You can also search for this editor in PubMed   Google Scholar

Part of the book series: Nato Science Series C: (ASIC, volume 46)

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Table of contents (21 chapters)

  1. Front Matter

    Pages i-ix
    Download chapter PDF

  2. Experimental Studies of Atomic and Molecular Lifetimes

    • Indrek Martinson
    Pages 1-34

  3. Excitation Energies and Transition Moments from the Polarization Propagator

    • Jan Linderberg
    Pages 35-43

  4. Accuracy, Timing and General Applicability of the MRD-CI Method

    • Robert J. Buenker, Sigrid D. Peyerimhoff
    Pages 45-61

  5. Calculation of Vibrational Wavefunctions and Energies Using MRD-CI Techniques

    • Robert J. Buenker, Sigrid D. Peyerimhoff, Miljenko Perić
    Pages 63-77

  6. CI Calculations of Vertical Excitation Energies and Oscillator Strengths for Rydberg and Valence States of Molecules

    • S. D. Peyerimhoff, R. J. Buehker
    Pages 79-103

  7. Theory of the Electronic Structure of Excited States in Small Systems with Numerical Applications to Atomic States

    • Donald R. Beck, Cleanthes A. Nicolaides
    Pages 105-142

  8. Many-Body Theory of Photoabsorption in Atoms and Molecules

    • Cleanthes A. Nicolaides, Donald R. Beck
    Pages 143-182

  9. On Green’s Function Methods for the Study of Ionic States in Atoms and Molecules

    • W. von Niessen, L. S. Cederbaum, W. Domcke
    Pages 183-272

  10. Auger Electron Spectra from Free Atoms and Molecules

    • Hans Siegbahn
    Pages 273-295

  11. Many Body Perturbation Methods for the Calculation of Excited States

    • Michael A. Robb, Dermot Hegarty, Sally Prime
    Pages 297-316

  12. The Calculation of Atomic and Molecular Electron Binding Energies

    • Yngve Öhrn
    Pages 317-328

  13. Theory of One Electron Binding Energies Including Correlation, Relativistic and Radiative Effects: Application to Free Atoms and Metals

    • Donald R. Beck, Cleanthes A. Nicolaides
    Pages 329-359

  14. Atomic Photoionization Cross Sections

    • P. L. Altick
    Pages 361-382

  15. Theory of Atomic and Molecular Non-Stationary States Within the Coordinate Rotation Method

    • Cleanthes A. Nicolaides, Donald R. Beck
    Pages 383-402

  16. Use of CI Methods for the Study of Molecular Dissociation Processes in Various Electronic States

    • Sigrid D. Peyerimhoff, Robert J. Buenker
    Pages 403-416

  17. The Role of the Excited State in Organic Photochemistry

    • Josef Michl
    Pages 417-435

  18. Excitons in Solids

    • T. C. Collins
    Pages 437-456

  19. Aspects of the Theory of Disordered Systems

    • E. N. Economou
    Pages 457-469

  20. Excited States of Transition Metal Oxides

    • A. Barry Kunz
    Pages 471-493
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Keywords

About this book

 It is undoubtedly true that much of the progress in the quant~m theory of matter is due to the remarkable success of the independent particle model (IPM)--especially in describing ground states. However, the accurate experimental results of the last 10 years or so, on a variety of spectroscopic phenomena and chemical processes which involve the Excited State, and the related failure of the IPM to reproduce accurately--in many cases, even qualitatively--the observed data, have sent to theorists a clear message: There is need to create and/or apply general and useful approaches to the many-electron problem of the excited state which go beyond the IPM, treat electron correlation and relativity and explain or predict all relevant physical or chemical information with consistent accuracy. This book contains articles devoted mainly to some of the most important new developments in Quantum Chemistry concerning the theoretical foundations and the computational implementation of many-body approaches to the quantitative and detailed under­ standing of the electronic excited states of atoms, molecules and solids. Furthermore, it contains experimental and pheno­ menological articles on Photoelectron and Auger spectroscopy, Lifetime measurements and Organic Photochemistry. In combination or individually, these articles constitute a good description of some current theoretical and experimental work on the electronic structure and spectroscopy of atoms, molecules, polymers, surfaces, metal oxides and amorphous solids.

Editors and Affiliations

  • Theoretical Chemistry Institute, National Hellenic Research Foundation, Athens, Greece

    Cleanthes A. Nicolaides, Donald R. Beck

Bibliographic Information

  • Book Title: Excited States in Quantum Chemistry

  • Book Subtitle: Theoretical and Experimental Aspects of the Electronic Structure and Properties of the Excited States in Atoms, Molecules and Solids

  • Editors: Cleanthes A. Nicolaides, Donald R. Beck

  • Series Title: Nato Science Series C:

  • DOI: https://doi.org/10.1007/978-94-009-9902-2

  • Publisher: Springer Dordrecht

  • eBook Packages: Springer Book Archive

  • Copyright Information: D. Reidel Publishing Company, Dordrecht, Holland 1979

  • Hardcover ISBN: 978-90-277-0961-5Due: 31 December 1978

  • Softcover ISBN: 978-94-009-9904-6Published: 13 October 2011

  • eBook ISBN: 978-94-009-9902-2Published: 06 December 2012

  • Series ISSN: 1389-2185

  • Edition Number: 1

  • Number of Pages: 585

  • Topics: Physical Chemistry, Quantum Physics

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