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Molecular propagation through electron energy level crossings Book

Molecular propagation through electron energy level crossings
Molecular propagation through electron energy level crossings, , Molecular propagation through electron energy level crossings has a rating of 4 stars
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  • Molecular propagation through electron energy level crossings
  • Written by author George A. Hagedorn
  • Published by Providence, RI : American Mathematical Society, 1994., 1994
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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.


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