Excited States in Quantum Chemistry
Theoretical and Experimental Aspects of the Electronic Structure and Properties of the Excited States in Atoms, Molecules and Solids
Editors: Nicolaides, Cleanthes A., Beck, D.R. (Eds.)
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- About this book
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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.
- Table of contents (21 chapters)
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Experimental Studies of Atomic and Molecular Lifetimes
Pages 1-34
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Excitation Energies and Transition Moments from the Polarization Propagator
Pages 35-43
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Accuracy, Timing and General Applicability of the MRD-CI Method
Pages 45-61
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Calculation of Vibrational Wavefunctions and Energies Using MRD-CI Techniques
Pages 63-77
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CI Calculations of Vertical Excitation Energies and Oscillator Strengths for Rydberg and Valence States of Molecules
Pages 79-103
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Table of contents (21 chapters)
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Bibliographic Information
- 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
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- Cleanthes A. Nicolaides
- D.R. Beck
- Series Title
- Nato Science Series C:
- Series Volume
- 46
- Copyright
- 1979
- Publisher
- Springer Netherlands
- Copyright Holder
- D. Reidel Publishing Company, Dordrecht, Holland
- eBook ISBN
- 978-94-009-9902-2
- DOI
- 10.1007/978-94-009-9902-2
- Hardcover ISBN
- 978-90-277-0961-5
- Softcover ISBN
- 978-94-009-9904-6
- Series ISSN
- 1389-2185
- Edition Number
- 1
- Number of Pages
- 585
- Topics
