Improved basis-set incompleteness potentials for accurate density-functional theory calculations in large systems
Publication date:
2020
Publisher version:
Citación:
Journal of Chemical Theory and Computation, 16(7), p. 4176-4191 (2020); doi:10.1021/acs.jctc.0c00102
Descripción física:
p. 4176-4191
ISSN:
Patrocinado por:
A.O.R. thanks the Spanish government for a Ramón y Cajal fellowship (RyC-2016-20301) and for financial support (Projects PGC2018-097520-A-100 and RED2018-102612-T) and the MALTA Consolider supercomputing centre and Compute Canada for computational resources. G.A.D. thanks the National Science and Engineering Research Council, the Canadian Foundation for Innovation, and the British Columbia Knowledge Development Fund for financial support.
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