Article

Communication: Density functional theory embedding with the orthogonality constrained…

The Journal of chemical physics · 2017 · KR. Brorsen, T. Culpitt, S. Hammes-Schiffer

Key facts

Title Communication: Density functional theory embedding with the orthogonality constrained basis set expansion procedure.
First author KR. Brorsen, T. Culpitt, S. Hammes-Schiffer
Journal The Journal of chemical physics
Published Jun 1, 2017
DOI 10.1063/1.4984777
PubMed ID 28576084
PMC ID PMC5648574
Devices mentioned 211101

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  • None Product codes mentioned

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