Mardirossian, Narbe

Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals

Mardirossian, N., & Head-Gordon, M. (2017) · Molecular Physics

Advanced Chemical Physics StudiesPhysical Organic Chemistry and Reaction Kinetics

Cited by 2,307

Recent developments in the P y SCF program package

Sun, Q., Zhang, X., Banerjee, S., Bao, P., Barbry, M., Blunt, N. S., Bogdanov, N. A., Booth, G. H., Chen, J., Cui, Z.-H., et al. (2020) · The Journal of Chemical Physics

Advanced Chemical Physics StudiesComputational Physics and Python Applications

Cited by 1,259

ωB97X-V: A 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategy

Mardirossian, N., & Head-Gordon, M. (2014) · Physical Chemistry Chemical Physics

Advanced Chemical Physics StudiesAdvanced Physical and Chemical Molecular Interactions

Cited by 986