Quantum and classical dynamics

Walter Dittrich, Martin Reuter

Raymond Kapral

Often quantum systems are not isolated and interactions with their environments must be taken into account. In such open quantum systems these environmental interactions can lead to decoherence and dissipation, which have a marked influence on the properties of the quantum system. In many instances the environment is well-approximated by classical mechanics, so that one is led to consider the dynamics of open quantum-classical systems. Since a full quantum dynamical description of large many-body systems is not currently feasible, mixed quantum-classical methods can provide accurate and computationally tractable ways to follow the dynamics of both the system and its environment. This review focuses on quantum-classical Liouville dynamics, one of several quantum-classical descriptions, and discusses the problems that arise when one attempts to combine quantum and classical mechanics, coherence and decoherence in quantum-classical systems, nonadiabatic dynamics, surface-hopping and mean-field theories and their relation to quantum-classical Liouville dynamics, as well as methods for simulating the dynamics.

Walter Dittrich, Martin Reuter

Raymond Kapral

Often quantum systems are not isolated and interactions with their environments must be taken into account. In such open quantum systems these environmental interactions can lead to decoherence and dissipation, which have a marked influence on the properties of the quantum system. In many instances the environment is well-approximated by classical mechanics, so that one is led to consider the dynamics of open quantum-classical systems. Since a full quantum dynamical description of large many-body systems is not currently feasible, mixed quantum-classical methods can provide accurate and computationally tractable ways to follow the dynamics of both the system and its environment. This review focuses on quantum-classical Liouville dynamics, one of several quantum-classical descriptions, and discusses the problems that arise when one attempts to combine quantum and classical mechanics, coherence and decoherence in quantum-classical systems, nonadiabatic dynamics, surface-hopping and mean-field theories and their relation to quantum-classical Liouville dynamics, as well as methods for simulating the dynamics.

Norman Margolus

Quantum dynamics can be regarded as a generalization of classical finite-state dynamics. This is a familiar viewpoint for workers in quantum computation, which encompasses classical computation as a special case. Here this viewpoint is extended to mechanics, where classical dynamics has traditionally been viewed as a macroscopic approximation of quantum behavior, not as a special case. When a classical dynamics is recast as a special case of quantum dynamics, the quantum description can be interpreted classically. For example, sometimes extra information is added to the classical state in order to construct the quantum description. This extra information is then eliminated by representing it in a superposition as if it were unknown information about a classical statistical ensemble. This usage of superposition leads to the appearance of Fermions in the quantum description of classical lattice-gas dynamics and turns continuous-space descriptions of finite-state systems into illustrations of classical sampling theory. A direct mapping of classical systems onto quantum systems also allows us to determine the minimum possible energy scale for a classical dynamics, based on a localized rate of state change. We use a partitioning description of dynamics to define locality, and discuss the ideal energy of two model systems.

David S. Park