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Physical Chemistry Chemical Physics· 2013Q2

ωB97X-V: A 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategy

Narbe Mardirossian, Martin Head‐Gordon

Short summary

A new 10-parameter density functional, ωB97X-V, was developed using a 'survival-of-the-fittest' strategy, optimizing parameter combinations to achieve superior accuracy in predicting molecular properties.

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Field: Spectroscopy

SpectroscopyChemistry