
pmid: 9897207
A variational expression is introduced for transition amplitudes, that is invariant under time reversal and is independent of the phases of trial states. With the use of time-dependent Hartree-Fock (TDHF) wave functions and a linear combination of atomic orbitals, exact numerical results for He+He/sup 2 +/..-->..He/sup +/+He/sup +/ obtained within a small basis set, are compared with results from the variational functional. The variational procedure leads to a very substantial improvement over the standard TDHF results.
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