What Types of Chemical Problems Benefit from Density-Corrected DFT? A Probe Using an Extensive and Chemically Diverse Test Suite

av Santra, Golokesh, Martin, Jan M.L.
I publikationen J Chem Theory Comput (2021)

Exploring Avenues beyond Revised DSD Functionals: I. Range Separation, with xDSD as a Special Case

av Santra, Golokesh, Cho, Minsik, Martin, Jan M. L.
I publikationen J Phys Chem A (2021)

Exploring Avenues beyond Revised DSD Functionals: II. Random-Phase Approximation and Scaled MP3 Corrections

av Santra, Golokesh, Semidalas, Emmanouil, Martin, Jan M. L.
I publikationen J Phys Chem A (2021)

The Atomic Partial Charges Arboretum: Trying to See the Forest for the Trees

av Cho, Minsik, Sylvetsky, Nitai, Eshafi, Sarah, Santra, Golokesh, Efremenko, Irena, Martin, Jan M. L.
I publikationen Chemphyschem (2020)

Performance of Electronic Structure Methods for the Description of Hückel–Möbius Interconversions in Extended π-Systems

av Woller, Tatiana, Banerjee, Ambar, Sylvetsky, Nitai, Santra, Golokesh, Deraet, Xavier, De Proft, Frank, Martin, Jan M. L., Alonso, Mercedes
I publikationen J Phys Chem A (2020)