Hartree–Fock orbitals significantly improve the reaction barrier heights predicted by semilocal density functionals

Por Janesko, Benjamin G., Scuseria, Gustavo E.
Publicado em 2008

Self-consistent generalized Kohn-Sham local hybrid functionals of screened exchange: Combining local and range-separated hybridization

Por Janesko, Benjamin G., Krukau, Aliaksandr V., Scuseria, Gustavo E.
Publicado em 2008

Generalized gradient approximation model exchange holes for range-separated hybrids

Por Henderson, Thomas M., Janesko, Benjamin G., Scuseria, Gustavo E.
Publicado em 2008

Screened hybrid density functionals for solid-state chemistry and physics

Por Janesko, Benjamin G., Henderson, Thomas M., Scuseria, Gustavo E.
Publicado no Phys Chem Chem Phys (2008)

Range Separation and Local Hybridization in Density Functional Theory()

Por Henderson, Thomas M., Janesko, Benjamin G., Scuseria, Gustavo E.
Publicado no J Phys Chem A (2008)

Evaluation of range-separated hybrid density functionals for the prediction of vibrational frequencies, infrared intensities, and Raman activities

Por Jiménez-Hoyos, Carlos A., Janesko, Benjamin G., Scuseria, Gustavo E.
Publicado no Phys Chem Chem Phys (2008)

Observing Metal-Catalyzed Chemical Reactions in Situ Using Surface-Enhanced Raman Spectroscopy on Pd–Au Nanoshells

Por Heck, Kimberly N., Janesko, Benjamin G., Scuseria, Gustavo E., Halas, Naomi J., Wong, Michael S.
Publicado no J Am Chem Soc (2008)

Interactions of ibuprofen with hybrid lipid bilayers probed by complementary surface-enhanced vibrational spectroscopies

Por Levin, Carly S., Kundu, Janardan, Janesko, Benjamin G., Scuseria, Gustavo E., Raphael, Robert M., Halas, Naomi J.
Publicado no J Phys Chem B (2008)

Understanding band gaps of solids in generalized Kohn–Sham theory

Por Perdew, John P., Yang, Weitao, Burke, Kieron, Yang, Zenghui, Gross, Eberhard K. U., Scheffler, Matthias, Scuseria, Gustavo E., Henderson, Thomas M., Zhang, Igor Ying, Ruzsinszky, Adrienn, Peng, Haowei, Sun, Jianwei, Trushin, Egor, Görling, Andreas
Publicado no Proc Natl Acad Sci U S A (2017)