Equivalence of Electron-Vibration Interaction and Charge-Induced Force Variations: A New O(1) Approach to an Old Problem

Crystals

Benjamin J. Powell¹  Tunna Baruah² 

[1] Centre for Organic Photonics and Electronics, School of Mathematics and Physics, The University of Queensland, Brisbane, Queensland 4072, Australia;Physics Department, University of Texas at El Paso, El Paso, TX 79968, USA; E-Mail:

关键词: vibronic coupling;    electron-phonon interaction;    Mott transition;   

DOI  :  10.3390/cryst2020236

来源: mdpi

【 摘 要 】

Calculating electron-vibration (vibronic) interaction constants is computationally expensive. For molecules containing N nuclei it involves solving the Schrödinger equation forapproach produces numerically accurate results by calculating the vibronic interaction constants for several molecules. We investigate the role of molecular vibrations in the Mott transition in κ-(BEDT-TTF)₂Cu[N(CN)₂]Br.

【 授权许可】

CC BY   
© 2012 by the authors; licensee MDPI, Basel, Switzerland