A surface-hopping algorithm for conical intersections

In quantum molecular dynamics the intersection of electron energy levels generates non-adiabatic effects. We give an effective description of the nuclear dynamics near a conical intersection of energy levels and translate this description to a surface-hopping type algorithm.

References

• C. Lasser and S. Teufel
  Propagation through conical crossings: An asymptotic semigroup approach
  Comm. Pure Appl. Math. 58, 1188 (2005)
   
• C. Fermanian Kammerer and C. Lasser
  Wigner measures and codimension two crossings
  J. Math. Phys. 44, 507 (2003)