A quantum-classical limit of the canonical equilibrium time correlation function for a quantum system is derived. The quantum-classical limit for the dynamics is obtained for quantum systems comprising a subsystem of light particles in a bath of heavy quantum particles. In this limit the time evolution of operators is determined by a quantum-classical Liouville operator, but the full equilibrium canonical statistical description of the initial condition is retained. The quantum-classical correlation function expressions derived here provide a way to simulate the transport properties of quantum systems using quantum-classical surface-hopping dynamics combined with sampling schemes for the quantum equilibrium structure of both the subsystem o...
In this thesis quantum-classical dynamics is applied to the study of quantum condensed phase process...
Quantum rate processes in condensed phase systems are often computed by combining quantum and classi...
Computing quantum dynamics in condensed matter systems is an open challenge due to the exponential s...
A quantum-classical limit of the canonical equilibrium time correlation function for a quantum syste...
Quantum time correlation functions are often the principal objects of interest in experimental inves...
The statistical mechanics of systems whose evolution is governed by mixed quantum-classical dynamics...
Solving quantum dynamics is an exponentially difficult problem. Thus, an exact numerical solution is...
Solving quantum dynamics is an exponentially difficult problem. Thus, an exact numerical solution is...
Numerical studies are made of simple one- and two-dimensional quantum models which are stochastic n ...
The statistical mechanics of quantum-classical systems with holonomic constraints is formulated rigo...
Classical and quantum correlation functions are derived for a system of non-interacting particles mo...
The quantum-statistical generalization of the well-known classical, linear revised Enskog equation i...
grantor: University of TorontoMixed quantum-classical equations of motion are derived for ...
grantor: University of TorontoMixed quantum-classical equations of motion are derived for ...
We present a consistent framework of coupled classical and quantum dynamics. Our result allows us to...
In this thesis quantum-classical dynamics is applied to the study of quantum condensed phase process...
Quantum rate processes in condensed phase systems are often computed by combining quantum and classi...
Computing quantum dynamics in condensed matter systems is an open challenge due to the exponential s...
A quantum-classical limit of the canonical equilibrium time correlation function for a quantum syste...
Quantum time correlation functions are often the principal objects of interest in experimental inves...
The statistical mechanics of systems whose evolution is governed by mixed quantum-classical dynamics...
Solving quantum dynamics is an exponentially difficult problem. Thus, an exact numerical solution is...
Solving quantum dynamics is an exponentially difficult problem. Thus, an exact numerical solution is...
Numerical studies are made of simple one- and two-dimensional quantum models which are stochastic n ...
The statistical mechanics of quantum-classical systems with holonomic constraints is formulated rigo...
Classical and quantum correlation functions are derived for a system of non-interacting particles mo...
The quantum-statistical generalization of the well-known classical, linear revised Enskog equation i...
grantor: University of TorontoMixed quantum-classical equations of motion are derived for ...
grantor: University of TorontoMixed quantum-classical equations of motion are derived for ...
We present a consistent framework of coupled classical and quantum dynamics. Our result allows us to...
In this thesis quantum-classical dynamics is applied to the study of quantum condensed phase process...
Quantum rate processes in condensed phase systems are often computed by combining quantum and classi...
Computing quantum dynamics in condensed matter systems is an open challenge due to the exponential s...