Push it to the limit: Characterizing the convergence of common sequences of basis sets for intermolecular interactions as described by density functional theory

Jonathon Witte; Jeffrey B. Neaton; Martin Head-Gordon

doi:10.1063/1.4949536

Push it to the limit: Characterizing the convergence of common sequences of basis sets for intermolecular interactions as described by density functional theory

Jonathon Witte
, Jeffrey B. Neaton
, Martin Head-Gordon

Nanoporous Materials Genome Center

Research output: Contribution to journal › Article › peer-review

48 Scopus citations

Original language	English (US)
Journal	The Journal of Chemical Physics
Volume	144
Issue number	19
DOIs	https://doi.org/10.1063/1.4949536
State	Published - 2016

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10.1063/1.4949536

https://cloudfront.escholarship.org/dist/prd/content/qt19k4s2rq/qt19k4s2rq.pdf?t=pgh3eh

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title = "Push it to the limit: Characterizing the convergence of common sequences of basis sets for intermolecular interactions as described by density functional theory",

author = "Jonathon Witte and Neaton, \{Jeffrey B.\} and Martin Head-Gordon",

year = "2016",

doi = "10.1063/1.4949536",

language = "English (US)",

volume = "144",

journal = "The Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "19",

}

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T1 - Push it to the limit: Characterizing the convergence of common sequences of basis sets for intermolecular interactions as described by density functional theory

AU - Witte, Jonathon

AU - Neaton, Jeffrey B.

AU - Head-Gordon, Martin

PY - 2016

Y1 - 2016

U2 - 10.1063/1.4949536

DO - 10.1063/1.4949536

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VL - 144

JO - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

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