Molecular Propagation through Electron Energy Level Crossings

Released on by George Allan Hagedorn
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  • Molecular Propagation through Electron Energy Level Crossings Book Detail

  • Author : George Allan Hagedorn
  • Release Date : 1994
  • Publisher : American Mathematical Soc.
  • Genre : Mathematics
  • Pages : 142
  • ISBN 13 : 0821826050
  • File Size : 63,63 MB
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Molecular Propagation through Electron Energy Level Crossings by George Allan Hagedorn PDF Summary

Book Description: The principal results of this paper involve the extension of the time-dependent Born-Oppenheimer approximation to accommodate the propagation of nuclei through generic, minimal multiplicity electron energy level crossings. The Born-Oppenheimer approximation breaks down at electron energy level crossings, which are prevalent in molecular systems. We classify generic, minimal multiplicity level crossings and derives a normal form for the electron Hamiltonian near each type of crossing. We then extend the time-dependent Born-Oppenheimer approximation to accommodate the propagation of nuclei through each type of electron energy level crossing.

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