An edition of Beyond Born-Oppenheimer (2006)

Beyond Born-Oppenheimer

electronic non-adiabatic coupling terms and conical intersections

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Last edited by MARC Bot
December 29, 2022 | History
An edition of Beyond Born-Oppenheimer (2006)

Beyond Born-Oppenheimer

electronic non-adiabatic coupling terms and conical intersections

  • 0 Ratings
  • 0 Want to read
  • 0 Currently reading
  • 0 Have read

INTRODUCING A POWERFUL APPROACH TO DEVELOPING RELIABLE QUANTUM MECHANICAL TREATMENTS OF A LARGE VARIETY OF PROCESSES IN MOLECULAR SYSTEMS. The Born-Oppenheimer approximation has been fundamental to calculation in molecular spectroscopy and molecular dynamics since the early days of quantum mechanics. This is despite well-established fact that it is often not valid due to conical intersections that give rise to strong nonadiabatic effects caused by singular nonadiabatic coupling terms (NACTs). In Beyond Born-Oppenheimer, Michael Baer, a leading authority on molecular scattering theory and electronic nonadiabatic processes, addresses this deficiency and introduces a rigorous approach--diabatization--for eliminating troublesome NACTs and deriving well-converged equations to treat the interactions within and between molecules. Concentrating on both the practical and theoretical aspects of electronic nonadiabatic transitions in molecules, Professor Baer uses a simple mathematical language to rigorously eliminate the singular NACTs and enable reliable calculations of spectroscopic and dynamical cross sections. He presents models of varying complexity to illustrate the validity of the theory and explores the significance of the study of NACTs and the relationship between molecular physics and other fields in physics, particularly electrodynamics. The first book of its king Beyond Born-Oppenheimer: Presents a detailed mathematical framework to treat electronic NACTs and their conical intersections Describes the Born-Oppenheimer treatment, including the concepts of adiabatic and diabatic frameworks Introduces a field-theoretical approach to calculating NACTs, which offers an alternative to time-consuming ab initio procedures Discusses various approximations for treating a large system of diabatic Schr?dinger equations Presents numerous exercises with solutions to further clarify the material being discussed Beyond Born-Oppenheimer is required reading for physicists, physical chemists, and all researchers involved in the quantum mechanical study of molecular systems.

Publish Date
Publisher
Wiley
Language
English

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Edition Availability
Cover of: Beyond Born-Oppenheimer
Cover of: Beyond Born-Oppenheimer
Cover of: Beyond Born-Oppenheimer
Beyond Born-Oppenheimer
2006, John Wiley & Sons, Ltd.
Electronic resource in English

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Book Details


Edition Notes

Includes index.

Published in
Hoboken, N.J

Classifications

Dewey Decimal Class
541/.28
Library of Congress
QD96.M65 B34 2006, QD96.M65B34 2006

The Physical Object

Pagination
p. cm.

ID Numbers

Open Library
OL3405745M
ISBN 10
0471778915
LCCN
2005021350
OCLC/WorldCat
61162263
Goodreads
1222544

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December 29, 2022 Edited by MARC Bot import existing book
December 11, 2020 Edited by MARC Bot import existing book
October 8, 2020 Edited by ImportBot import existing book
August 1, 2020 Edited by ImportBot import existing book
April 1, 2008 Created by an anonymous user Imported from Scriblio MARC record