eBook ISBN: | 978-1-4704-0115-3 |
Product Code: | MEMO/111/536.E |
List Price: | $42.00 |
MAA Member Price: | $37.80 |
AMS Member Price: | $25.20 |
eBook ISBN: | 978-1-4704-0115-3 |
Product Code: | MEMO/111/536.E |
List Price: | $42.00 |
MAA Member Price: | $37.80 |
AMS Member Price: | $25.20 |
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Book DetailsMemoirs of the American Mathematical SocietyVolume: 111; 1994; 130 ppMSC: Primary 81; Secondary 92; 35
This largely self-contained book provides a thorough discussion of the mathematics of molecular dynamics and fills a gap in the theoretical knowledge of the subject. Most knowledge of molecular propagation is derived from the time-dependent Born-Oppenheimer approximation. This approximation breaks down at electron energy level crossings, which are prevalent in molecular systems. Hagedorn classifies generic, minimal multiplicity level crossings and derives a normal form for the electron Hamiltonian near each type of crossing. He then extends the time-dependent Born-Oppenheimer approximation to accommodate the propagation of nuclei through each type of electron energy level crossing.
ReadershipMathematical physicists interested in quantum mechanics; molecular physicists; theoretical chemists.
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Table of Contents
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Chapters
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1. Introduction
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2. Generic minimal multiplicity quantum eigenvalue crossings
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3. Technical preliminaries
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4. Born-Oppenheimer propagation away from crossings
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5. Codimension 1 crossings
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6. Codimension 2 crossings
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7. Codimension 3 crossings
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8. Codimension 5 crossings
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This largely self-contained book provides a thorough discussion of the mathematics of molecular dynamics and fills a gap in the theoretical knowledge of the subject. Most knowledge of molecular propagation is derived from the time-dependent Born-Oppenheimer approximation. This approximation breaks down at electron energy level crossings, which are prevalent in molecular systems. Hagedorn classifies generic, minimal multiplicity level crossings and derives a normal form for the electron Hamiltonian near each type of crossing. He then extends the time-dependent Born-Oppenheimer approximation to accommodate the propagation of nuclei through each type of electron energy level crossing.
Mathematical physicists interested in quantum mechanics; molecular physicists; theoretical chemists.
-
Chapters
-
1. Introduction
-
2. Generic minimal multiplicity quantum eigenvalue crossings
-
3. Technical preliminaries
-
4. Born-Oppenheimer propagation away from crossings
-
5. Codimension 1 crossings
-
6. Codimension 2 crossings
-
7. Codimension 3 crossings
-
8. Codimension 5 crossings