Ba. Shadwick et Wf. Buell, UNITARY INTEGRATION - A NUMERICAL TECHNIQUE PRESERVING THE STRUCTURE OF THE QUANTUM LIOUVILLE EQUATION, Physical review letters, 79(26), 1997, pp. 5189-5193
The quantum Liouville equation for an n-level atomic system driven by
external fields has a nontrivial kinematic structure; the quantities t
r rho(j), j = 1,2,...,n remain constant in time, independent of the Ha
miltonian. These invariants are physically significant; the qualitativ
e character of the solution depends on their existence. A generic nume
rical method will not, in general, preserve these invariants. We prese
nt a numerical technique which evolves the density matrix via unitary
transformations thus exactly preserving these invariants to all orders
in the time step. [S0031-9007(97)04662-0].