<i>ω</i>B97M-V: A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlation

Mardirossian, Narbe; Head‐Gordon, Martin

doi:10.1063/1.4952647

Public

ωB97M-V: A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlation

Published in The Journal of Chemical Physics • Jun 7, 2016

Authors:

Narbe Mardirossian

Martin Head‐Gordon

Abstract

A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlation is presented. The final 12-parameter functional form is selected from approximately 10 × 10(9) candidate fits that are trained on a training set of 870 data points and tested on a primary ...

Subject

Correlation

Range (aeronautics)

Mathematics

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