Assessing DFT-D3 Damping Functions Across Widely Used Density Functionals: Can We Do Better?

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

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

79 Scopus citations

Original language	English (US)
Pages (from-to)	2043-2052
Number of pages	10
Journal	Journal of Chemical Theory and Computation
Volume	13
Issue number	5
DOIs	https://doi.org/10.1021/acs.jctc.7b00176
State	Published - 2017

Publisher link

@article{0676972398014a0c978ad4231984f83b,

title = "Assessing DFT-D3 Damping Functions Across Widely Used Density Functionals: Can We Do Better?",

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

year = "2017",

doi = "10.1021/acs.jctc.7b00176",

language = "English (US)",

volume = "13",

pages = "2043--2052",

journal = "Journal of Chemical Theory and Computation",

issn = "1549-9618",