dorsal/arxiv
View SchemaPerturbative treatment of intercenter coupling in Redfield theory
| Authors | Ulrich Kleinekathoefer, Ivan Kondov, Michael Schreiber |
|---|---|
| Categories | |
| ArXiv ID | physics/0012012 |
| URL | https://arxiv.org/abs/physics/0012012 |
| DOI | 10.1016/S0301-0104(01)00288-9 |
| Journal | Chem. Phys. 268, 121-130 (2001) |
Abstract
The quantum dynamics of coupled subsystems connected to a thermal bath is studied. In some of the earlier work the effect of intercenter coupling on the dissipative part was neglected. This is equivalent to a zeroth-order perturbative expansion of the damping term with respect to the intercenter coupling. It is shown numerically for two coupled harmonic oscillators that this treatment can lead to artifacts and a completely wrong description, for example, of a charge transfer processes even for very weak intercenter coupling. Here we perform a first-order treatment and show that these artifacts disappear. In addition, we demonstrate that the thermodynamic equilibrium population is almost reached even for strong intercenter coupling strength.
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"abstract": "The quantum dynamics of coupled subsystems connected to a thermal bath is\nstudied. In some of the earlier work the effect of intercenter coupling on the\ndissipative part was neglected. This is equivalent to a zeroth-order\nperturbative expansion of the damping term with respect to the intercenter\ncoupling. It is shown numerically for two coupled harmonic oscillators that\nthis treatment can lead to artifacts and a completely wrong description, for\nexample, of a charge transfer processes even for very weak intercenter\ncoupling. Here we perform a first-order treatment and show that these artifacts\ndisappear. In addition, we demonstrate that the thermodynamic equilibrium\npopulation is almost reached even for strong intercenter coupling strength.",
"arxiv_id": "physics/0012012",
"authors": [
"Ulrich Kleinekathoefer",
"Ivan Kondov",
"Michael Schreiber"
],
"categories": [
"physics.chem-ph",
"quant-ph"
],
"doi": "10.1016/S0301-0104(01)00288-9",
"journal_ref": "Chem. Phys. 268, 121-130 (2001)",
"title": "Perturbative treatment of intercenter coupling in Redfield theory",
"url": "https://arxiv.org/abs/physics/0012012"
},
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