Solution of the Redfield equation for the dissipative quantum dynamics of multilevel systems
- Columbia University, New York, New York 10027 (United States)
We present a new method for solving the Redfield equation, which describes the evolution of the reduced density matrix of a multilevel quantum-mechanical system interacting with a thermal bath. The method is based on a new decomposition of the Redfield relaxation tensor that makes possible its direct application to the density matrix without explicit construction of the full tensor. In the resulting expressions, only ordinary matrices are involved and so any quantum system whose Hamiltonian can be diagonalized can be treated with the full Redfield theory. To efficiently solve the equation of motion for the density matrix, we introduce a generalization of the short-iterative-Lanczos propagator. Together, these contributions allow the complete Redfield theory to be applied to significantly larger systems than was previously possible. Several model calculations are presented to illustrate the methodology, including one example with 172 quantum states.
- DOE Contract Number:
- FG02-90ER14162
- OSTI ID:
- 5143354
- Journal Information:
- Journal of Chemical Physics; (United States), Journal Name: Journal of Chemical Physics; (United States) Vol. 100:7; ISSN JCPSA6; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
665000* -- Physics of Condensed Matter-- (1992-)
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ALGORITHMS
CALCULATION METHODS
COUPLING
DENSITY MATRIX
DIFFERENTIAL EQUATIONS
ENERGY LOSSES
EQUATIONS
EQUATIONS OF MOTION
FLUIDS
HEAT SINKS
LIQUIDS
LOSSES
MATHEMATICAL LOGIC
MATRICES
MECHANICS
PARTIAL DIFFERENTIAL EQUATIONS
PROPAGATOR
QUANTUM MECHANICS
RELAXATION
SINKS
SOLIDS
TENSORS