Quantum phase-space function formulation of reactive flux theory
Quantum phase-space function formulation of reactive flux theory
| dc.contributor.author | Barik, Debashis | |
| dc.contributor.author | Banik, Suman Kumar | |
| dc.contributor.author | Ray, Deb Shankar | |
| dc.date.accessioned | 2022-03-27T09:45:46Z | |
| dc.date.available | 2022-03-27T09:45:46Z | |
| dc.date.issued | 2003-07-08 | |
| dc.description.abstract | A formulation of reactive flux theory in terms of quantum phase space distribution functions is presented. A time-dependent quantum transmission coefficient, Grote-Hynes coefficient is derived in the spirit of Kohen and Tannor's classical formulation. It is observed that while the classical transmission coefficient is independent of temperature, its quantum counterpart has significant temperature dependence particularly in the low-temperature regime. | |
| dc.identifier.citation | Journal of Chemical Physics. v.119(2) | |
| dc.identifier.issn | 00219606 | |
| dc.identifier.uri | 10.1063/1.1579473 | |
| dc.identifier.uri | http://aip.scitation.org/doi/10.1063/1.1579473 | |
| dc.identifier.uri | https://dspace.uohyd.ac.in/handle/1/13278 | |
| dc.title | Quantum phase-space function formulation of reactive flux theory | |
| dc.type | Journal. Article | |
| dspace.entity.type |
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