## Abstract A new density functional (DF) of the generalized gradient approximation (GGA) type for general chemistry applications termed B97‐D is proposed. It is based on Becke's power‐series ansatz from 1997 and is explicitly parameterized by including damped atom‐pairwise dispersion corrections o
Small polaron mass with a long range density–displacement type interaction
✍ Scribed by Bakhrom Yavidov
- Publisher
- Elsevier Science
- Year
- 2009
- Tongue
- English
- Weight
- 361 KB
- Volume
- 404
- Category
- Article
- ISSN
- 0921-4526
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✦ Synopsis
In this work renormalization of the effective mass of an electron due to a small polaron formation is studied within the framework of the extended Holstein model. It is assumed that an electron moves along the one-dimensional chain of ions and interacts with ions vibrations of a neighboring chain via a long-range density-displacement type force. By means of the exact calculations a renormalized mass of a nonadiabatic small polaron is obtained at strong coupling limit. The obtained results compared with the mass of small polaron of ordinary Holstein model. The effect of ions vibrations polarization on the small polaron mass is addressed.
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