期刊
JOURNAL OF CHEMICAL PHYSICS
卷 129, 期 12, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.2987364
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资金
- Singapore Ministry of Education [T207B1214]
A state-of-the-art variational wave function incorporating Jastrow-type exciton-phonon correlations, the global-local Ansatz, is utilized to elucidate exciton-phonon correlations in a generalized form of the Holstein Hamiltonian with the simultaneous presence of diagonal and off-diagonal exciton-phonon coupling. Much lowered ground-state energies are found for the global-local Ansatz when compared with the previously studied Toyozawa Ansatz. A three-dimensional phase diagram spanned by the transfer integral and two forms of exciton-phonon coupling is given to illustrate polaronic self-trapping near the zone center. (C) 2008 American Institute of Physics.
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