Publications of Dipayan Datta

Datta, D.; Saitow, M.; Sandhöfer, B.; Neese, F. ⁵⁷Fe Mössbauer Parameters from Domain Based Local Pair-Natural Orbital Coupled-Cluster Theory. The Journal of Chemical Physics 2020, 153, 204101.

Datta, D.; Kossmann, S.; Neese, F. Analytic Energy Derivatives for the Calculation of the First-Order Molecular Properties Using the Domain-Based Local Pair-Natural Orbital Coupled-Cluster Theory. The Journal of Chemical Physics 2016, 145, 114101.