Jr. Hellums et Wr. Frensley, NON-MARKOVIAN OPEN-SYSTEM BOUNDARY-CONDITIONS FOR THE TIME-DEPENDENT SCHRODINGER-EQUATION, Physical review. B, Condensed matter, 49(4), 1994, pp. 2904-2906
The open-system boundary conditions for the one-dimensional Schrodinge
r equation are derived by dividing the unbounded domain into a finite
system and two semi-infinite reservoirs. The resulting boundary condit
ions on the system are non-Markovian, as they contain a convolution ov
er the history of the system. Thus, time-irreversibility arises in a p
ure-state problem, The propagator which appears in the boundary condit
ion is derived for a simple discrete model. The correctness of the bou
ndary conditions is verified and the usefulness of the discrete model
is demonstrated by a numerical calculation of the time-evolution of a
wave packet.