GEORGE A. HAGEDORN
Typ e K Crossings The two irreducible corepresentations of G that correspond to
Ej\[X) and E$(X) are both of Type ///an d are unitarily equivalent to one another. Both
eigenvalues are multiplicity 2 away from the crossing.
REMARKS 1. If one ignores electron spin, then the all standard realistic electron Hamil-
tonians without external magnetic fields are time-reversal invariant, and the square of the
time-reversal operator is +1 . If one includes spin then hamiltonians without external mag-
netic fields are again time-reversal invariant. If the number of electrons is even, then the
square of the time-reversal operator is +1 . In the case of an odd number of electrons it is
- 1 .
2. Crossings of types A, C, D, E, F, G, and H all involve eigenvalues associated with two
different symmetry subspaces. To the extent that they are discussed in the chemical physics
literature, these types are all grouped together as one case. As we shall prove below, these
crossings all occur generically on codimension 1 submanifolds of the nuclear configuration
space. We shall also prove in the later sections of this paper that they give rise to similar
phenomena in the time-dependent Born-Oppenheimer approximation.
3. We prove below that crossings of Types B and K occur generically on codimension 3
submanifolds. For type B crossings, this is well known in the chemical physics literature.
Crossings of Types B and K give rise to similar phenomena in the time-dependent Born-
4. Crossings of Type I are familiar to the chemical physicists. They occur generically on
codimension 2 submanifolds in time-reversal invariant systems with an even number of elec-
5. Crossings of Type J are discussed in the chemical physics literature in the context of
crossings of Kramers doublets [38,40]. These crossings occur generically on codimension 5
submanifolds in time-reversal invariant systems with odd numbers of electrons.
Having described the classification of quantum eigenvalue crossings, we now turn to the
detailed structure of the electron Hamiltonian function h(X) near a generic crossing in each
of the cases. We derive normal forms for each of the crossing situations that are particularly
suited to our purposes in the subsequent sections of this paper. In our analysis of the time-
dependent Born-Oppenheimer approximation, we restrict attention to cases in which the
nuclear wave packets actually pass through the crossing with non-vanishing speed (a precise