Simulating the exact quantum dynamics of realistic interacting systems is presently a task beyond reach but for the smallest of them, as the numerical cost for solving the time-dependent Schrödinger equation scales exponentially with the number of degrees of freedom. Mixed quantum-classical methods attempt to solve this problem by starting from a full quantum description of the system and subsequently partitioning the degrees of freedom in two subsets: the quantum subsystem and the bath. A classical limit is then taken for the bath while preserving, at least approximately, the quantum evolution of the subsystem. A key, as yet not fully resolved, theoretical question is how to do so by constructing a consistent description of the overall dyn...
This work identifies geometric effects on dynamics due to nonadiabatic couplings in Born Oppenheimer...
We propose a highly efficient mixed quantum-classical molecular dynamics scheme based on a solution ...
Quantum mechanics is not logically closed with respect to the classical world. Its formalism unfolds...
Simulating the exact quantum dynamics of realistic interacting systems is presently a task beyond re...
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...
Mixed quantum-classical equations of motion are derived for a quantum subsystem of light (mass m) pa...
grantor: University of TorontoMixed quantum-classical equations of motion are derived for ...
grantor: University of TorontoMixed quantum-classical equations of motion are derived for ...
An algorithm is presented for the exact solution of the evolution of the density matrix of a mixed q...
Non-adiabatic dynamics in mixed quantum-classical systems is investigated. The mixed quantum-classic...
Mixed quantum--classical models have attracted considerable interest due to the expectation that the...
Understanding reactivity is a central goal of chemical physics, and investigations in the condensed ...
A long-standing challenge in mixed quantum-classical trajectory simulations is the treatment of enta...
Abstract. We consider a coupled system of Schrödinger equations, arising in quantum mechanics via th...
This work identifies geometric effects on dynamics due to nonadiabatic couplings in Born Oppenheimer...
We propose a highly efficient mixed quantum-classical molecular dynamics scheme based on a solution ...
Quantum mechanics is not logically closed with respect to the classical world. Its formalism unfolds...
Simulating the exact quantum dynamics of realistic interacting systems is presently a task beyond re...
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...
Mixed quantum-classical equations of motion are derived for a quantum subsystem of light (mass m) pa...
grantor: University of TorontoMixed quantum-classical equations of motion are derived for ...
grantor: University of TorontoMixed quantum-classical equations of motion are derived for ...
An algorithm is presented for the exact solution of the evolution of the density matrix of a mixed q...
Non-adiabatic dynamics in mixed quantum-classical systems is investigated. The mixed quantum-classic...
Mixed quantum--classical models have attracted considerable interest due to the expectation that the...
Understanding reactivity is a central goal of chemical physics, and investigations in the condensed ...
A long-standing challenge in mixed quantum-classical trajectory simulations is the treatment of enta...
Abstract. We consider a coupled system of Schrödinger equations, arising in quantum mechanics via th...
This work identifies geometric effects on dynamics due to nonadiabatic couplings in Born Oppenheimer...
We propose a highly efficient mixed quantum-classical molecular dynamics scheme based on a solution ...
Quantum mechanics is not logically closed with respect to the classical world. Its formalism unfolds...