A TIME-DEPENDENT DISCRETE VARIABLE REPRESENTATION FOR (MULTICONFIGURATION) HARTREE METHODS

A time-dependent discrete variable representation for evaluation of po tential energy matrix elements in Hartree and multiconfiguration Hartr ee approaches is presented. In contrast to other time-dependent discre te variable representations, the scheme presented treats separable par ts of the potential exactly and not by quadrature. Thus, accurate resu lts can be obtained even for very small sizes of the time-dependent gr id. Time-dependent Hartree and multiconfiguration Hartree calculations for the photodissociation of NOCl after S-0-->S-1-excitation demonstr ate the accuracy of this discrete variable representation. (C) 1996 Am erican Institute of Physics.