On variational approximations in quantum molecular dynamics


The Dirac-Frenkel-McLachlan variational principle is the basic tool for obtaining computationally accessible approximations in quantum molecular dynamics. It determines equations of motion for an approximate timedependent wave function on an approximation manifold of reduced dimension. This paper gives a near-optimality result for variational approximations… (More)
DOI: 10.1090/S0025-5718-04-01685-0