Martin Head-Gordon
20PUBLICATIONS
141CO-AUTHORS
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Publications (20)
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|Oct 31, 2021
Approaching the basis set limit in Gaussian-orbital-based periodic calculations with transferability: Performance of pure density functionals for simple semiconductors.Joonho Lee, Xintian Feng, Leonardo A Cunha
|Sep 02, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng
|Jul 09, 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
|Jul 09, 2021
Revealing the nature of electron correlation in transition metal complexes with symmetry breaking and chemical intuition.James Shee, Matthias Loipersberger, Diptarka Hait
|Feb 20, 2021
Too big, too small, or just right? A benchmark assessment of density functional theory for predicting the spatial extent of the electron density of small chemical systems.Diptarka Hait, Yu Hsuan Liang, Martin Head-Gordon
|Oct 09, 2020
Accurate prediction of core-level spectra of radicals at density functional theory cost via square gradient minimization and recoupling of mixed configurations.Diptarka Hait, Eric A Haugen, Zheyue Yang
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Frequent Collaborators
7 joint publications
Diptarka Hait
7 joint publications
Joonho Lee
2 joint publications
Teresa Head-Gordon
2 joint publications
Xintian Feng
2 joint publications
Adam Rettig
2 joint publications
Srimukh Prasad Veccham
2 joint publications
Christopher J Stein
2 joint publications
John M Herbert
2 joint publications
Leonardo A Cunha
2 joint publications
Jérôme F Gonthier
