MN15: A Kohn–Sham global-hybrid exchange–correlation density functional with broad accuracy for multi-reference and single-reference systems and noncovalent interactions
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- Haoyu S. Yu
- Department of Chemistry
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- Xiao He
- Department of Chemistry
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- Shaohong L. Li
- Department of Chemistry
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- Donald G. Truhlar
- Department of Chemistry
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説明
<p>We report a global-hybrid approximation, MN15, to the exchange–correlation functional of Kohn–Sham theory with broadly accurate performance for both multi-reference and single-reference systems.</p>
収録刊行物
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- Chemical Science
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Chemical Science 7 (8), 5032-5051, 2016
Royal Society of Chemistry (RSC)
