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Molecular Propagation through Electron Energy Level Crossings
 
Molecular Propagation through Electron Energy Level Crossings
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
Molecular Propagation through Electron Energy Level Crossings
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Molecular Propagation through Electron Energy Level Crossings
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
  • Book Details
     
     
    Memoirs of the American Mathematical Society
    Volume: 1111994; 130 pp
    MSC: 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.

    Readership

    Mathematical physicists interested in quantum mechanics; molecular physicists; theoretical chemists.

  • Table of Contents
     
     
    • 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
  • Requests
     
     
    Review Copy – for publishers of book reviews
    Permission – for use of book, eBook, or Journal content
    Accessibility – to request an alternate format of an AMS title
Volume: 1111994; 130 pp
MSC: 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.

Readership

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
Review Copy – for publishers of book reviews
Permission – for use of book, eBook, or Journal content
Accessibility – to request an alternate format of an AMS title
Please select which format for which you are requesting permissions.