Linear scaling density matrix real time TDDFT: Propagator unitarity and matrix truncation
Author:
Affiliation:
1. London Centre for Nanotechnology, University College London, 17-19 Gordon St., London WC1H 0AH, United Kingdom
Funder
MANA-WPI
Royal Society
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4919128
Reference37 articles.
1. \mathcal{O}(N) methods in electronic structure calculations
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4. Time-Dependent Density Functional Response Theory of Molecular Systems: Theory, Computational Methods, and Functionals
5. PARSEC – the pseudopotential algorithm for real-space electronic structure calculations: recent advances and novel applications to nano-structures
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