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The Journal of Chemical Physics|July 9, 2021
Exploring spin symmetry-breaking effects for static field ionization of atoms: Is there an analog to the Coulson-Fischer point in bond dissociation?Leonardo A Cunha, Joonho Lee, Diptarka Hait, et al.Journal of Chemical Theory and Computation|August 30, 2019
What Levels of Coupled Cluster Theory Are Appropriate for Transition Metal Systems? A Study Using Near-Exact Quantum Chemical Values for 3d Transition Metal Binary CompoundsDiptarka Hait, Norman M Tubman, Daniel S Levine, et al.The Journal of Physical Chemistry. A|January 13, 2023
Ultrafast X-ray Spectroscopy of Intersystem Crossing in Hexafluoroacetylacetone: Chromophore Photophysics and Spectral Changes in the Face of Electron-Withdrawing GroupsEric A Haugen, Diptarka Hait, Valeriu Scutelnic, et al.Journal of Chemical Theory and Computation|February 29, 2020
CASSCF with Extremely Large Active Spaces Using the Adaptive Sampling Configuration Interaction MethodDaniel S Levine, Diptarka Hait, Norm M Tubman, et al.The Journal of Chemical Physics|October 9, 2020
Accurate prediction of core-level spectra of radicals at density functional theory cost via square gradient minimization and recoupling of mixed configurationsDiptarka Hait, Eric A Haugen, Zheyue Yang, et al.Communications Physics|September 16, 2024
Measurement of coherent vibrational dynamics with X-ray Transient Absorption Spectroscopy simultaneously at the Carbon K- and Chlorine L2,3- edgesAndrew D Ross, Diptarka Hait, Valeriu Scutelnic, et al.Journal of Chemical Theory and Computation|March 12, 2020
Modern Approaches to Exact Diagonalization and Selected Configuration Interaction with the Adaptive Sampling CI MethodNorm M Tubman, C Daniel Freeman, Daniel S Levine, et al.The Journal of Physical Chemistry Letters|August 23, 2018
Bimolecular Reaction Dynamics in the Phenyl-Silane System: Exploring the Prototype of a Radical Substitution MechanismMichael Lucas, Aaron M Thomas, Tao Yang, et al.The Journal of Chemical Physics|July 19, 2023
Probing C-I bond fission in the UV photochemistry of 2-iodothiophene with core-to-valence transient absorption spectroscopyBenjamin W Toulson, Diptarka Hait, Davide Faccialà, et al.Science (New York, N.Y.)|May 4, 2023
Femtosecond symmetry breaking and coherent relaxation of methane cations via x-ray spectroscopyEnrico Ridente, Diptarka Hait, Eric A Haugen, et al.Pageof 44