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Quantum Molecular Dynamics
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DOI：10.3390/quantum8010012.png)
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Abstract
En 中文
We formulate a new quantum many-body simulation method for a general quantum fluid at any given temperature. Unlike the path integral Monte Carlo method, our method evolves, in imaginary time, the density matrix from its initial delta function condition to its final thermal form in an amount of time equal to the inverse temperature. It does this with a molecular dynamics scheme applied to a classical Hamiltonian that has the same functional form as the one for the quantum mechanical Hamiltonian according to the properties of the continuous representation of John R. Klauder. We then end up with the thermal density matrix, which can be used to extract thermal averages of observables using the Monte Carlo method equally well in any statistics.
Keywords:
quantum many body
simulation
quantum molecular dynamics
Monte Carlo
continuous representation
density matrix
Bloch equation
stationary variational principle
Hamilton equations