Valeev, Edward F.

Explicitly Correlated R12/F12 Methods for Electronic Structure

Kong, L., Bischoff, F. A., & Valeev, E. F. (2012) · Chemical Reviews

Advanced Chemical Physics StudiesAtomic and Molecular Physics

Cited by 509

PSI3: An open‐source Ab Initio electronic structure package

Crawford, T. D., Sherrill, C. D., Valeev, E. F., Fermann, J. T., King, R. A., Leininger, M. L., Brown, S. T., Janssen, C. L., Seidl, E. T., Kenny, J. P., et al. (2007) · Journal of Computational Chemistry

Advanced Chemical Physics StudiesAdvanced Physical and Chemical Molecular Interactions

Cited by 271

Universal perturbative explicitly correlated basis set incompleteness correction

Torheyden, M., & Valeev, E. F. (2009) · The Journal of Chemical Physics

Advanced Chemical Physics StudiesAtomic and Molecular Physics

Cited by 80

Perturbative correction for the basis set incompleteness error of complete-active-space self-consistent field

Kong, L., & Valeev, E. F. (2010) · The Journal of Chemical Physics

Advanced Chemical Physics StudiesAtomic and Molecular Physics

Cited by 33

Roadmap on methods and software for electronic structure based simulations in chemistry and materials

Blum, V., Asahi, R., Autschbach, J., Bannwarth, C., Bihlmayer, G., Blügel, S., Burns, L. A., Crawford, T. D., Dawson, W., de Jong, W. A., et al. (2024) · Electronic Structure

Advanced Chemical Physics StudiesMachine Learning in Materials Science

Cited by 24