Normal forms for conical intersections in quantum chemistry

نویسنده

  • Clotilde FERMANIAN KAMMERER
چکیده

In quantum chemistry, the dynamics of heavy molecules is described by Schrödinger equations with energy level crossings. These crossings generate energy transfers at leading order between the modes as was earlier noticed by Landau and Zener in the 30’s. The mathematical analysis of these transfers relies on the use of normal forms. Here, we analyze the implications of Y. Colin de Verdière’s recent result on normal forms in the context derived by G. Hagedorn for molecular propagation and extend these normal forms to codimension 5 crossings.

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تاریخ انتشار 2007