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Diptarka Hait

9PUBLICATIONS

137CO-AUTHORS

Theoretical quantum chemistryCondensed matter modelling and density functional theorySurface properties of condensed matterIntegrable systems (classical and quantum)

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Publications (9)

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|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

|Mar 10, 2019

Well-behaved versus ill-behaved density functionals for single bond dissociation: Separating success from disaster functional by functional for stretched H<sub>2</sub>.

Diptarka Hait, Adam Rettig, Martin Head-Gordon

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Frequent Collaborators

7 joint publications

Martin Head-Gordon

2 joint publications

Adam Rettig

2 joint publications

Joonho Lee

1 joint publications

Eric A Haugen

1 joint publications

Zheyue Yang

1 joint publications

Katherine J Oosterbaan

1 joint publications

Stephen R Leone

1 joint publications

Yu Hsuan Liang

1 joint publications

James Shee

1 joint publications

Matthias Loipersberger

Frequent Collaborators

7 joint publications

Martin Head-Gordon

2 joint publications

Adam Rettig

2 joint publications

Joonho Lee

1 joint publications

Eric A Haugen

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