312 citations · 2.5k across the 39 of their papers we have counts for
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physics.chem-ph2017★ 312 cited
How accurate is density functional theory at predicting dipole moments? An assessment using a new database of 200 benchmark values
Diptarka Hait, Martin Head-Gordon
Dipole moments are a simple, global measure of the accuracy of the electron density of a polar molecule. Dipole moments also affect the interactions of a molecule with other molecu…
physics.chem-ph2017★ 6 cited
A hybrid memory kernel approach for condensed phase non-adiabatic dynamics
Diptarka Hait, Michael G. Mavros, Troy Van Voorhis
The spin-boson model is a simplified Hamiltonian often used to study non-adiabatic dynamics in large condensed phase systems, even though it has not been solved in a fully analytic…