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Hybrid exchange-correlation functional for core, valence, and Rydberg excitations: core-valence-Rydberg B3LYP

Ayako Nakata1, Yutaka Imamura, Hiromi Nakai

  • 1Department of Chemistry, School of Science and Engineering, Waseda University, Tokyo 169-8555, Japan.

The Journal of Chemical Physics
|September 1, 2006
PubMed

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