A new approximation to the propagator is presented. The approximation as applied to the thermal propagator (coordinate space density matrix) is obtained by using an analog of the McLachlan variational principle for the solution of the Bloch equation.
Published: March 13, 2021
Citation
Messina M., B.C. Garrett, and G.K. Schenter. 1994.Variational Solutions for the Thermal and Real Time Propagator Using the McLachlan Variational Principle.Journal of Chemical Physics 100, no. 9:6570-6577.PNNL-SA-23541.doi:10.1063/1.467066