KCIS-ORCA

FUNCTIONAL NAME: KCIS-ORCA


This is a CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: MGGA


DESCRIPTION: Krieger, Chen, Iafrate, and Savin. ORCA variant.




REFERENCES


J. Rey and A. Savin., Int. J. Quantum Chem. 69, 581–590 (1998)

DOI: 10.1002/(SICI)1097-461X(1998)69:4<581::AID-QUA16>3.0.CO;2-2


J. B. Krieger, J. Chen, G. J. Iafrate, and A. Savin. Construction of An Accurate Self-interaction-corrected Correlation Energy Functional Based on An Electron Gas with A Gap, pages 463–477. Springer US, Boston, MA, 1999. URL: http://doi.org/10.1007/978-1-4615-4715-0_28, doi:10.1007/978-1-4615-4715-0_28.

DOI: 10.1007/978-1-4615-4715-0_28


J. B. Krieger, J. Chen, and S. Kurth., AIP Conf. Proc. 577, 48-69 (2001)

DOI: 10.1063/1.1390178


S. Kurth, J. P. Perdew, and P. Blaha., Int. J. Quantum Chem. 75, 889-909 (1999)

DOI: 10.1002/(SICI)1097-461X(1999)75:4/5<889::AID-QUA54>3.0.CO;2-8


J. Toulouse, A. Savin, and C. Adamo., J. Chem. Phys. 117, 10465-10473 (2002)

DOI: 10.1063/1.1521432