Diptarka Hait

ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 31

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry letters

Chemical science

The Journal of chemical physics

University of California Berkeley (PHD)

This page only lists publications with an associated author ORCID identifier.

Education History

University of California Berkeley Aug 24 2016

United States

PHD :: Chemistry

Massachusetts Institute of Technology Sep 04 2012 - Jun 03 2016

United States

BSC :: Chemistry, Physics

Publications

Richard Kang, Yang Zhao, Diptarka Hait, Joseph A Gauthier, Paul Andrew Kempler, Kira A Thurman, Shannon W Boettcher, Martin Head-Gordon
Understanding ion-transfer reactions in silver electrodissolution and electrodeposition from first-principles calculations and experiments. Chemical science 15 (13) (2024)
Andrew D Ross, Diptarka Hait, Valeriu Scutelnic, Daniel M Neumark, Martin Head-Gordon, Stephen R Leone
Measurement of coherent vibrational dynamics with X-ray Transient Absorption Spectroscopy simultaneously at the Carbon K- and Chlorine L 2,3 - edges. Communications physics 7 (1) (2024)
Diptarka Hait, Todd J Martinez
Predicting the X-ray Absorption Spectrum of Ozone with Single Configuration State Functions. Journal of chemical theory and computation (2024)
Richard Kang, Yang Zhao, Diptarka Hait, Joseph A Gauthier, Paul Andrew Kempler, Kira A Thurman, Shannon W Boettcher, Martin Head-Gordon
Understanding ion-transfer reactions in silver electrodissolution and electrodeposition from first-principles calculations and experiments. Chemical science 15 (13) (2024)
Diptarka Hait, Todd J Martinez
Predicting the X-ray Absorption Spectrum of Ozone with Single Configuration State Functions. Journal of chemical theory and computation 20 (2) (2024)
Enrico Ridente, Diptarka Hait, Eric A Haugen, Andrew D Ross, Daniel M Neumark, Martin Head-Gordon, Stephen R Leone
Femtosecond symmetry breaking and coherent relaxation of methane cations via x-ray spectroscopy. Science (New York, N.Y.) 380 (6646) (2023)
Eric A Haugen, Diptarka Hait, Valeriu Scutelnic, Tian Xue, Martin Head-Gordon, Stephen R Leone
Ultrafast X-ray Spectroscopy of Intersystem Crossing in Hexafluoroacetylacetone: Chromophore Photophysics and Spectral Changes in the Face of Electron-Withdrawing Groups. The journal of physical chemistry. A (2023)
Enrico Ridente, Diptarka Hait, Eric A Haugen, Andrew D Ross, Daniel M Neumark, Martin Head-Gordon, Stephen R Leone
Femtosecond symmetry breaking and coherent relaxation of methane cations via x-ray spectroscopy. Science (New York, N.Y.) (2023)
Eric A Haugen, Diptarka Hait, Valeriu Scutelnic, Tian Xue, Martin Head-Gordon, Stephen R Leone
Ultrafast X-ray Spectroscopy of Intersystem Crossing in Hexafluoroacetylacetone: Chromophore Photophysics and Spectral Changes in the Face of Electron-Withdrawing Groups. The journal of physical chemistry. A 127 (3) (2023)
Enrico Ridente, Diptarka Hait, Eric A Haugen, Andrew D Ross, Daniel M Neumark, Martin Head-Gordon, Stephen R Leone
Femtosecond symmetry breaking and coherent relaxation of methane cations via x-ray spectroscopy. Science (New York, N.Y.) 380 (6646) (2023)
Jiashu Liang, Xintian Feng, Diptarka Hait, Martin Head-Gordon
Revisiting the Performance of Time-Dependent Density Functional Theory for Electronic Excitations: Assessment of 43 Popular and Recently Developed Functionals from Rungs One to Four. Journal of chemical theory and computation 18 (6) (2022)
Andrew D Ross, Diptarka Hait, Valeriu Scutelnic, Eric A Haugen, Enrico Ridente, Mikias B Balkew, Daniel M Neumark, Martin Head-Gordon, Stephen R Leone
Correction: Jahn-Teller distortion and dissociation of CCl 4 + by transient X-ray spectroscopy simultaneously at the carbon K- and chlorine L-edge. Chemical science 13 (35) (2022)
Andrew D Ross, Diptarka Hait, Valeriu Scutelnic, Eric A Haugen, Enrico Ridente, Mikias B Balkew, Daniel M Neumark, Martin Head-Gordon, Stephen R Leone
Jahn-Teller distortion and dissociation of CCl 4 + by transient X-ray spectroscopy simultaneously at the carbon K- and chlorine L-edge. Chemical science 13 (32) (2022)
Leonardo A Cunha, Diptarka Hait, Richard Kang, Yuezhi Mao, Martin Head-Gordon
Relativistic Orbital-Optimized Density Functional Theory for Accurate Core-Level Spectroscopy. The journal of physical chemistry letters 13 (15) (2022)
Diptarka Hait, Martin Head-Gordon
Orbital Optimized Density Functional Theory for Electronic Excited States. The journal of physical chemistry letters 12 (19) (2021)
Yusuke Yoneda, S Jimena Mora, James Shee, Brian L Wadsworth, Eric A Arsenault, Diptarka Hait, Gerdenis Kodis, Devens Gust, Gary F Moore, Ana L Moore, Martin Head-Gordon, Thomas A Moore, Graham R Fleming
Electron-Nuclear Dynamics Accompanying Proton-Coupled Electron Transfer. Journal of the American Chemical Society 143 (8) (2021)
Daniel S Levine, Diptarka Hait, Norman M Tubman, Susi Lehtola, K Birgitta Whaley, Martin Head-Gordon
CASSCF with Extremely Large Active Spaces Using the Adaptive Sampling Configuration Interaction Method. Journal of chemical theory and computation 16 (4) (2020)
Diptarka Hait, Martin Head-Gordon
Excited State Orbital Optimization via Minimizing the Square of the Gradient: General Approach and Application to Singly and Doubly Excited States via Density Functional Theory. Journal of chemical theory and computation 16 (3) (2020)
Janus J Eriksen, Tyler A Anderson, J Emiliano Deustua, Khaldoon Ghanem, Diptarka Hait, Mark R Hoffmann, Seunghoon Lee, Daniel S Levine, Ilias Magoulas, Jun Shen, Norman M Tubman, K Birgitta Whaley, Enhua Xu, Yuan Yao, Ning Zhang, Ali Alavi, Garnet Kin-Lic Chan, Martin Head-Gordon, Wenjian Liu, Piotr Piecuch, Sandeep Sharma, Seiichiro L Ten-No, C J Umrigar, Jürgen Gauss
The Ground State Electronic Energy of Benzene. The journal of physical chemistry letters 11 (20) (2020)
Diptarka Hait, Martin Head-Gordon
Highly Accurate Prediction of Core Spectra of Molecules at Density Functional Theory Cost: Attaining Sub-electronvolt Error from a Restricted Open-Shell Kohn-Sham Approach. The journal of physical chemistry letters 11 (3) (2020)
Norman M Tubman, C Daniel Freeman, Daniel S Levine, Diptarka Hait, Martin Head-Gordon, K Birgitta Whaley
Modern Approaches to Exact Diagonalization and Selected Configuration Interaction with the Adaptive Sampling CI Method. Journal of chemical theory and computation 16 (4) (2020)
Adam Rettig, Diptarka Hait, Luke W Bertels, Martin Head-Gordon
Third-Order Møller-Plesset Theory Made More Useful? The Role of Density Functional Theory Orbitals. Journal of chemical theory and computation 16 (12) (2020)
Diptarka Hait, Norman M Tubman, Daniel S Levine, K Birgitta Whaley, Martin Head-Gordon
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 Compounds. Journal of chemical theory and computation 15 (10) (2019)
Diptarka Hait, Adam Rettig, Martin Head-Gordon
Well-behaved versus ill-behaved density functionals for single bond dissociation: Separating success from disaster functional by functional for stretched H2. The Journal of chemical physics 150 (9) (2019)
Jason Fang, Diptarka Hait, Martin Head-Gordon, Michelle C Y Chang
Chemoenzymatic Platform for Synthesis of Chiral Organofluorines Based on Type II Aldolases. Angewandte Chemie (International ed. in English) 58 (34) (2019)
Diptarka Hait, Martin Head-Gordon
Communication: xDH double hybrid functionals can be qualitatively incorrect for non-equilibrium geometries: Dipole moment inversion and barriers to radical-radical association using XYG3 and XYGJ-OS. The Journal of chemical physics 148 (17) (2018)
Diptarka Hait, Martin Head-Gordon
Delocalization Errors in Density Functional Theory Are Essentially Quadratic in Fractional Occupation Number. The journal of physical chemistry letters 9 (21) (2018)
Michael Lucas, Aaron M Thomas, Ralf I Kaiser, Ralf I Kaiser, Alexander Moiseevich Mebel, Diptarka Hait, Martin Head-Gordon
Bimolecular Reaction Dynamics in the Phenyl-Silane System: Exploring the Prototype of a Radical Substitution Mechanism. The journal of physical chemistry letters 9 (17) (2018)
Michael G Mavros, Diptarka Hait, Troy Van Voorhis
Condensed phase electron transfer beyond the Condon approximation. The Journal of chemical physics 145 (21) (2018)
Diptarka Hait, Michael G Mavros, Troy Van Voorhis
A hybrid memory kernel approach for condensed phase non-adiabatic dynamics. The Journal of chemical physics 147 (1) (2018)
Diptarka Hait, Martin Head-Gordon
How Accurate Is Density Functional Theory at Predicting Dipole Moments? An Assessment Using a New Database of 200 Benchmark Values. Journal of chemical theory and computation 14 (4) (2018)

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Publication Activity (10 Years)

Top Topics

Top Venues

Diptarka Hait