Regularizing the molecular potential in electronic structure calculations. I. SCF methods
Author:
Affiliation:
1. Institut für Chemie, Humboldt-Universität zu Berlin, Unter den Linden 6, 10099 Berlin, Germany
Funder
Deutsche Forschungsgemeinschaft (DFG)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4901021
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5. From ultrasoft pseudopotentials to the projector augmented-wave method
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