Marat Sibaev

The PyPES library of high quality semi‐global potential energy surfaces

Marat Sibaev, Deborah L. Crittenden, D. Crittenden, 2015, J. Comput. Chem..

PyVCI: A flexible open-source code for calculating accurate molecular infrared spectra

Marat Sibaev, Deborah L. Crittenden, D. Crittenden, 2016, Comput. Phys. Commun..

The Molpro quantum chemistry package.

Guntram Rauhut, Daniel Kats, Frederick R Manby, 2020, The Journal of chemical physics.