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Math and StatisticsNumerical Mathematics

Unitary Integration with Operator Splitting for Weakly Dissipative Systems

Authors: B. A. Shadwick; W. F. Buell; AEROSPACE CORP EL SEGUNDO CA LAB OPERATIONS
Abstract:
Unitary integration is a numerical method that preserves the structure of the quantum Liouville equation by evolving the density via unitary transformations. Unitary integrators preserve the kinematic invariants C(sub j) = trp(sup j), j = 1,..., n to all orders in the time step. Here we extend unitary integration to weakly dissipative systems. We apply the technique of operator splitting, using a unitary integrator for the Hamiltonian evolution and a conventional integrator for the dissipative piece. In this way, we guarantee that all dissipation and decoherence (variation of the C(sub j)) is due to the new non-Hamiltonian terms and not to any numerical artifacts. We illustrate the method with examples.

Limitations: APPROVED FOR PUBLIC RELEASE
Pages: 20
Report Date: 20 JUN 2001
Contract Number: F04701-00-C-0009
Report Number: A111593
Keywords relating to this report:
*DISSIPATION
*NUMERICAL METHODS AND PROCEDURES
DIFFERENTIAL EQUATIONS
HAMILTONIAN FUNCTIONS
INTEGRATORS
LIOUVILLE EQUATION
QUANTUM THEORY
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