Publications of Dipayan Datta

Journal Article (2)

2020
Journal Article
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.
2016
Journal Article
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.
Go to Editor View