reference for LC-PBE
Just Got Here
2:23:04 PM PDT - Mon, May 23rd 2016
Hi. I am having trouble finding the reference for LC-PBE functional. Anyone know something about that? Also, can someone distinguish LC-wPBEh and LC-PBE0 for me. Thank you.

Forum Regular
2:13:35 PM PDT - Wed, May 25th 2016
Hi,

For LC-PBE and LC-PBE0,

A. W. Lange, M. A. Rohrdanz, and J. M. Herbert, J. Phys. Chem. B 112, 6304, 2008.

For LC-wPBE,

O. A. Vydrov and G. E. Scuseria, “Assessment of a long range corrected hybrid functional,” J. Chem. Phys., 125 (2006) 234109.

For LC-wPBEh,

A. F. Izmaylov, G. Scuseria, and M. J. Frisch, “Efficient evaluation of short-range Hartree-Fock exchange in large molecules and periodic systems,” J. Chem. Phys., 125 (2006) 104103: 1-8.


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