Adaptive density-guided approach to double incremental potential energy surface construction
Author:
Affiliation:
1. Department of Chemistry, Aarhus Universitet, DK-8000 Aarhus, Denmark
2. Institute of Physical Chemistry, Christian-Albrechts-University Kiel, Max-Eyth-Straße 1, D-24118 Kiel, Germany
Funder
Deutsche Forschungsgemeinschaft
Danish Council for Independent Research
Horizon 2020 Framework Program
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/5.0004686
Reference77 articles.
1. Linear scaling methods for electronic structure calculations and quantum molecular dynamics simulations
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4. Linear-Scaling Techniques in Computational Chemistry and Physics
5. An adaptive density-guided approach for the generation of potential energy surfaces of polyatomic molecules
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