(Q57402158)

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Density Functional for Spectroscopy: No Long-Range Self-Interaction Error, Good Performance for Rydberg and Charge-Transfer States, and Better Performance on Average than B3LYP for Ground States

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Density Functional for Spectroscopy: No Long-Range Self-Interaction Error, Good Performance for Rydberg and Charge-Transfer States, and Better Performance on Average than B3LYP for Ground States (English)

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Donald G. Truhlar

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author name string

Yan Zhao

series ordinal

1

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language of work or name

English

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publication date

December 2006

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published in

Journal of Physical Chemistry A

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volume

110

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issue

49

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page(s)

13126-13130

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DOI

10.1021/JP066479K

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PubMed publication ID

17149824

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(Q57402158)

Density Functional for Spectroscopy: No Long-Range Self-Interaction Error, Good Performance for Rydberg and Charge-Transfer States, and Better Performance on Average than B3LYP for Ground States

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