Space-time contours to treat intense field-dressed molecular states. I. Theory

摘要

A molecular system exposed to an intense external field is considered. The strength of the field is measured by the number L of electronic states that become populated during this process. In the present article the authors discuss a rigorous way, based on the recently introduced space-time contours [R. Baer, , J. Chem. Phys. 119, 6998 (2003)], to form N coupled Schrodinger equations where N < L, which maintains the effects due to the remaining (L-N) populated states. It is shown that whereas the size of L is unlimited, the main requirement concerning N is that the original group of N field-free states forms a Hilbert subspace in the spatial region of interest. From previous studies it is known that a group of states forms a Hilbert subspace if and only if the corresponding topological D matrix is diagonal [M. Baer, , Farad, Discuss 127, 337 (2004)].