A continuum limit frozen Gaussian approximation is formulated for the reduced thermal density matrix for dissipative systems. The imaginary time dynamics is obtained from a novel generalized Langevin equation for the system coordinates. The method is applied to study the thermal density in a double well potential in the presence of Ohmic-like friction. We find that the approximation describes correctly the delocalization of the density due to quantization of the vibrations in the well. It also accounts for the friction induced reduction of the tunneling density in the barrier region. © 2012 American Institute of Physics.

Continuum limit frozen Gaussian approximation for the reduced thermal density matrix of dissipative systems / R. Conte, E. Pollak. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - 136:9(2012 Mar 07). [10.1063/1.3682241]

Continuum limit frozen Gaussian approximation for the reduced thermal density matrix of dissipative systems

R. Conte
Primo
;
2012

Abstract

A continuum limit frozen Gaussian approximation is formulated for the reduced thermal density matrix for dissipative systems. The imaginary time dynamics is obtained from a novel generalized Langevin equation for the system coordinates. The method is applied to study the thermal density in a double well potential in the presence of Ohmic-like friction. We find that the approximation describes correctly the delocalization of the density due to quantization of the vibrations in the well. It also accounts for the friction induced reduction of the tunneling density in the barrier region. © 2012 American Institute of Physics.
Settore CHIM/02 - Chimica Fisica
7-mar-2012
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/797647
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