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All papers authored by Shervin Fatehi

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2022 Shervin Fatehi

ORCID

, Ashley Barbara Heim, Camila Fonseca Amorim da Silva, Monika Lewinska, Anna Uzonyi, Bradley J. Cardinal, Dieddra Atondo, Wagner Eduardo Richter, Bo Cao, Naga Rama Kothapalli

Back in person, back to the races

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2021 Evgeny Epifanovsky, Andrew T. B. Gilbert, Xintian Feng

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, Joonho Lee, Yuezhi Mao

ORCID

, Narbe Mardirossian, Pavel Pokhilko, Alec F. White

ORCID

, Marc P. Coons

ORCID

, Adrian L. Dempwolff

ORCID

, Zhengting Gan, Diptarka Hait

ORCID

, Paul R. Horn, Leif D. Jacobson, Ilya Kaliman and 205 other authors

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

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Lars Hoffmann, Sasawat Jamnuch, Craig P. Schwartz, Tobias Helk, Sumana L. Raj, Hikaru Mizuno, Riccardo Mincigrucci, Laura Foglia, Emiliano Principi, Richard J. Saykally, Walter S. Drisdell, Shervin Fatehi

ORCID

, Tod A. Pascal, Michael Zuerch

Saturable absorption of free-electron laser radiation by graphite near the carbon K-edge

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2020 Nicole Bellonzi

ORCID

, Ethan Alguire, Shervin Fatehi

ORCID

ORCID

, Joseph E. Subotnik

ORCID

TD-DFT spin-adiabats with analytic nonadiabatic derivative couplings

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2019 Douglas Steinhauff, Joel Henrique Ellwanger, Monika Lewinska, Edmond Sanganyado, Yongsheng Ji, Buddini Iroshika Karawdeniya, Naike Bochatay, Eric Britt Moore, Aminata Coulibaly, Shaima Ibrahim, Déna Skye Jansen, Joshua I. James, David M. Cole, Anna Lipkin, Beth McKinnon Adamowicz and 4 other authors

NextGen advises “Trying to Manage”

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2015 Joseph E. Subotnik, Ethan C. Alguire, Qi Ou, Brian R. Landry, Shervin Fatehi

ORCID

The Requisite Electronic Structure Theory To Describe Photoexcited Nonadiabatic Dynamics: Nonadiabatic Derivative Couplings and Diabatic Electronic Couplings

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Shervin Fatehi

ORCID

, Ryan P. Steele

Multiple-Time Step Ab Initio Molecular Dynamics Based on Two-Electron Integral Screening

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2014 Lee H. Woodcock, Yihan Shao, Zhengting Gan, Chung-Min Chang, Evgeny Epifanovsky, Debashree Ghosh, Matthew Goldey, Andrew Tb B. Gilbert, Paul R. Horn, Leif D. Jacobson, Ilya Kaliman, Michael Wormit, Rustam Z. Khaliullin, Darragh P. O'Neill, Tomasz Kuś and 151 other authors

Advances in Molecular Quantum Chemistry Contained in the Q-Chem 4 Program Package

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Qi Ou, Shervin Fatehi

ORCID

, Ethan Alguire, Yihan Shao, Joseph E. Subotnik

Publisher's Note: “Derivative couplings between TDDFT excited states obtained by direct differentiation in the Tamm-Dancoff approximation” [J. Chem. Phys. 141, 024114 (2014)]

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Qi Ou, Shervin Fatehi

ORCID

, Ethan Alguire, Yihan Shao, Joseph E. Subotnik

Derivative couplings between TDDFT excited states obtained by direct differentiation in the Tamm-Dancoff approximation

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Ethan C. Alguire, Shervin Fatehi

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, Yihan Shao, Joseph E. Subotnik

Analysis of Localized Diabatic States beyond the Condon Approximation for Excitation Energy Transfer Processes

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2013 Shervin Fatehi

ORCID

, Ethan Alguire, Joseph E. Subotnik

Derivative couplings and analytic gradients for diabatic states, with an implementation for Boys-localized configuration-interaction singles

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2012 Shervin Fatehi

ORCID

, Joseph E. Subotnik

Derivative Couplings with Built-In Electron-Translation Factors: Application to Benzene

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Xinle Liu, Shervin Fatehi

ORCID

, Yihan Shao, Brad S. Veldkamp, Joseph E. Subotnik

Communication: Adjusting charge transfer state energies for configuration interaction singles: Without any parameterization and with minimal cost

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2011 Shervin Fatehi

ORCID

, Ethan Alguire, Yihan Shao, Joseph E. Subotnik

Analytic derivative couplings between configuration-interaction-singles states with built-in electron-translation factors for translational invariance

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2010 Craig P. Schwartz, Shervin Fatehi

ORCID

, Richard J. Saykally, David Prendergast

Importance of Electronic Relaxation for Inter-Coulombic Decay in Aqueous Systems

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Shervin Fatehi

ORCID

, Craig P. Schwartz, Richard J. Saykally, David Prendergast

Nuclear quantum effects in the structure and lineshapes of the N2 near-edge x-ray absorption fine structure spectrum

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