期刊
PHYSICAL REVIEW B
卷 78, 期 12, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.78.125320
关键词
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资金
- UCSD
- LANL
- U. S.-Israel Binational Science Foundation
- German-Israel Foundation
- NSF/MRSEC
- NU-MRSEC
- Center for Integrated Nanotechnologies
- U. S. Department of Energy, Office of Basic Energy Sciences
- Los Alamos National Security, LLC
- National Nuclear Security Administration of the U. S. Department of Energy [DE-AC52-06NA25396]
A method developed by Sandalov et al. [Int. J. Quantum Chem. 94, 113 (2003)] is applied to inelastic transport in the case of strong correlations on the molecule, which is relatively weakly coupled to contacts. The ability of the approach to deal with the transport in the language of many-body molecular states as well as to take into account charge-specific normal modes and nonadiabatic couplings is stressed. We demonstrate the capabilities of the technique within simple model calculations and compare it to previously published approaches.
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