Artacho, E. and Beck, T. and Hernandez, E. (2006) Current trends in electronic structure: Real-space, embedding and linear scaling techniques. Physica Status Solidi B-Basic Solid State Physics, 243 (5). DOI https://doi.org/10.1002/pssb.200690008
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Abstract
This Special Issue of physica status solidi (b) is devoted to the topic of first-principles simulation of solids, liquids and complex matter and presents articles on the progress in linear scaling methods, electronic transport, simulation of STM images, and time-dependent DFT methods. The cover picture is taken from the paper by Torsti et al. and shows an isosurface of the positron density localized at a Ga vacancy in GaN [1]. The positron state is calculated by the real-space code Mika/doppler based on the Rayleigh-quotient multigrid method. The code predicts positron lifetimes and momentum densities of annihilating electron-positron pairs measured in positron annihilation spectroscopy for defects in solids.
Item Type: | Article |
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Uncontrolled Keywords: | 2006 AREP 2006 P IA51 |
Divisions: | 03 - Mineral Sciences |
Journal or Publication Title: | Physica Status Solidi B-Basic Solid State Physics |
Volume: | 243 |
Identification Number: | https://doi.org/10.1002/pssb.200690008 |
Depositing User: | Sarah Humbert |
Date Deposited: | 16 Feb 2009 13:01 |
Last Modified: | 23 Jul 2013 10:01 |
URI: | http://eprints.esc.cam.ac.uk/id/eprint/120 |
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