Quantum Thermal Transport from Classical Molecular Dynamics
نویسندگان
چکیده
منابع مشابه
Quantum - Classical Molecular Dynamics
We study time integration methods for equations of mixed quantum-classical molecular dynamics in which Newtonian equations of motion and Schrr odinger equations are nonlinearly coupled. Such systems exhibit diierent time scales in the classical and the quantum evolution, and the solutions are typically highly oscillatory. The numerical methods use the exponential of the quantum Hamiltonian whos...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2007
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.99.160601