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 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: 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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