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GFN2-xTB—An Accurate and Broadly Parametrized Self-Consis... | ResearchHub
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GFN2-xTB—An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions
0
Authors
Christoph Bannwarth
•
Sebastian Ehlert
•
Stefan Grimme
Published
February 11, 2019
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Journal
Journal of Chemical Theory and Computation
Topics
Physics
Quantum Mechanics
Chemistry
Computational Chemistry
Computational Physics
Show all topics
DOI
10.1021/acs.jctc.8b01176
License
publisher-specific-oa
