Dipayan Datta
Iowa State University(US)Ames National Laboratory(US)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Advanced NMR Techniques and Applications, Magnetism in coordination complexes, Catalysis and Oxidation Reactions
Most-Cited Works
- → Recent developments in the general atomic and molecular electronic structure system(2020)1,398 cited
- → A state-specific partially internally contracted multireference coupled cluster approach(2011)97 cited
- → Analytic energy derivatives for the calculation of the first-order molecular properties using the domain-based local pair-natural orbital coupled-cluster theory(2016)80 cited
- → Multireference equation-of-motion coupled cluster theory(2012)73 cited
- → The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures(2023)65 cited
- → Comparative study of multireference perturbative theories for ground and excited states(2009)61 cited
- → Communication: Multireference equation of motion coupled cluster: A transform and diagonalize approach to electronic structure(2014)52 cited
- → An explicitly spin-free compact open-shell coupled cluster theory using a multireference combinatoric exponential ansatz: Formal development and pilot applications(2009)45 cited
- → Additional global internal contraction in variations of multireference equation of motion coupled cluster theory(2013)41 cited
- → The spin-free analogue of Mukherjee's state-specific multireference coupled cluster theory(2011)40 cited