Beyond Energies: Geometries of Nonbonded Molecular Complexes as Metrics for Assessing Electronic Structure Approaches

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

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

88 Scopus citations

Original language	English (US)
Pages (from-to)	1481-1492
Number of pages	12
Journal	Journal of Chemical Theory and Computation
Volume	11
Issue number	4
DOIs	https://doi.org/10.1021/ct501050s
State	Published - 2015

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title = "Beyond Energies: Geometries of Nonbonded Molecular Complexes as Metrics for Assessing Electronic Structure Approaches",

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

year = "2015",

doi = "10.1021/ct501050s",

language = "English (US)",

volume = "11",

pages = "1481--1492",

journal = "Journal of Chemical Theory and Computation",

issn = "1549-9618",

publisher = "American Chemical Society",

number = "4",

}

TY - JOUR

T1 - Beyond Energies: Geometries of Nonbonded Molecular Complexes as Metrics for Assessing Electronic Structure Approaches

AU - Witte, Jonathon

AU - Goldey, Matthew

AU - Neaton, Jeffrey B.

AU - Head-Gordon, Martin

PY - 2015

Y1 - 2015

U2 - 10.1021/ct501050s

DO - 10.1021/ct501050s

M3 - Article

SN - 1549-9618

VL - 11

SP - 1481

EP - 1492

JO - Journal of Chemical Theory and Computation

JF - Journal of Chemical Theory and Computation

IS - 4

ER -