Statistical Mechanics of Quantum-Classical Systems with Holonomic Constraints

Abstract

The statistical mechanics of quantum-classical systems with holonomic constraints is formulated rigorously by unifying the classical Dirac bracket and the quantum-classical bracket in matrix form. The resulting Dirac quantum-classical theory, which conserves the holonomic constraints exactly, is then used to formulate time evolution and statistical mechanics. The correct momentum-jump approximation for constrained system arises naturally from this formalism. Finally, in analogy with what was found in the classical case, it is shown that the rigorous linear response function of constrained quantum-classical systems contains non-trivial additional terms which are absent in the response of unconstrained systems.

Submitted to Journal of Chemical Physics

References in corpus (2)

• Non-Hamiltonian Commutators in Quantum Mechanics
• Phase space flows for non-Hamiltonian systems with constraints

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