Variational energy band theory for polarons : mapping polaron structure with the Merrifield method

• Main Authors: Brown, David W., Zhao, Yang, Lindenberg, Katja
• Other Authors: School of Materials Science & Engineering
• Format: Article
• Language: English
• Published: 2011
• Subjects: DRNTU::Science::Physics::Atomic physics::Solid state physics
• Online Access: https://hdl.handle.net/10356/92316; http://hdl.handle.net/10220/6731
• Institution: Nanyang Technological University

In this paper we revisit from a contemporary perspective a classic problem of polaron theory following the variational approach originally taken by Merrifield. Polaron structure is represented by a variational surface giving the optimal values of the complete set of phonon amplitudes for every value...