Current trends in electronic structure: Real-space, embedding and linear scaling techniques

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
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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