Use of the rVV10 Nonlocal Correlation Functional in the B97M-V Density Functional: Defining B97M-rV and Related Functionals

Narbe Mardirossian; Luis Ruiz Pestana; James C. Womack; Chris-Kriton Skylaris; Teresa Head-Gordon; Martin Head-Gordon

doi:10.1021/acs.jpclett.6b02527

Use of the rVV10 Nonlocal Correlation Functional in the B97M-V Density Functional: Defining B97M-rV and Related Functionals

Narbe Mardirossian, Luis Ruiz Pestana, James C. Womack, Chris-Kriton Skylaris, Teresa Head-Gordon, Martin Head-Gordon

Nanoporous Materials Genome Center

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

82 Scopus citations

Original language	English (US)
Pages (from-to)	35-40
Number of pages	6
Journal	Journal of Physical Chemistry Letters
Volume	8
Issue number	1
DOIs	https://doi.org/10.1021/acs.jpclett.6b02527
State	Published - 2017

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10.1021/acs.jpclett.6b02527

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title = "Use of the rVV10 Nonlocal Correlation Functional in the B97M-V Density Functional: Defining B97M-rV and Related Functionals",

author = "Narbe Mardirossian and {Ruiz Pestana}, Luis and Womack, {James C.} and Chris-Kriton Skylaris and Teresa Head-Gordon and Martin Head-Gordon",

year = "2017",

doi = "10.1021/acs.jpclett.6b02527",

language = "English (US)",

volume = "8",

pages = "35--40",

journal = "Journal of Physical Chemistry Letters",

issn = "1948-7185",

publisher = "American Chemical Society",

number = "1",

}

TY - JOUR

T1 - Use of the rVV10 Nonlocal Correlation Functional in the B97M-V Density Functional: Defining B97M-rV and Related Functionals

AU - Mardirossian, Narbe

AU - Ruiz Pestana, Luis

AU - Womack, James C.

AU - Skylaris, Chris-Kriton

AU - Head-Gordon, Teresa

AU - Head-Gordon, Martin

PY - 2017

Y1 - 2017

U2 - 10.1021/acs.jpclett.6b02527

DO - 10.1021/acs.jpclett.6b02527

M3 - Article

SN - 1948-7185

VL - 8

SP - 35

EP - 40

JO - Journal of Physical Chemistry Letters

JF - Journal of Physical Chemistry Letters

IS - 1

ER -