Point-defect optical transitions and thermal ionization energies from quantum Monte Carlo methods: Application to the F-center defect in MgO

Point-defect optical transitions and thermal ionization energies from quantum Monte Carlo methods: Application to the F-center defect in MgO

We present an approach to calculation of point-defect optical and thermal ionization energies based on the highly accurate quantum Monte Carlo methods. The use of an inherently many-body theory that directly treats electron correlation offers many improvements over the typically employed density fun...

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Bibliographic Details
Main Authors: Ertekin, Elif, Wagner, Lucas K., Grossman, Jeffrey C.
Other Authors: Massachusetts Institute of Technology. Department of Materials Science and Engineering
Format: Article
Language:en_US
Published: American Physical Society 2013
Online Access:http://hdl.handle.net/1721.1/80864
https://orcid.org/0000-0003-1281-2359

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