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Shervin Fatehi, Ph.D. - Publications

Affiliations: 
2004-2010 Chemistry University of California, Berkeley, Berkeley, CA, United States 
 2011-2013 Chemistry University of Pennsylvania, Philadelphia, PA, United States 
 2013-2015 Chemistry University of Utah, Salt Lake City, UT 
 2015- Chemistry The University of Texas Rio Grande Valley 
Area:
Theoretical chemistry, quantum chemistry, chemical dynamics, synchrotron radiation, radiobiology
Website:
http://www.shervinfatehi.com
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15 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Hoffmann L, Jamnuch S, Schwartz CP, Helk T, Raj SL, Mizuno H, Mincigrucci R, Foglia L, Principi E, Saykally RJ, Drisdell WS, Fatehi S, Pascal TA, Zuerch M. Saturable Absorption of Free-Electron Laser Radiation by Graphite near the Carbon K-Edge. The Journal of Physical Chemistry Letters. 8963-8970. PMID 36165491 DOI: 10.1021/acs.jpclett.2c01020  0.683
2021 Epifanovsky E, Gilbert ATB, Feng X, Lee J, Mao Y, Mardirossian N, Pokhilko P, White AF, Coons MP, Dempwolff AL, Gan Z, Hait D, Horn PR, Jacobson LD, Kaliman I, ... ... Fatehi S, et al. Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics. 155: 084801. PMID 34470363 DOI: 10.1063/5.0055522  0.543
2020 Bellonzi N, Alguire E, Fatehi S, Shao Y, Subotnik JE. TD-DFT spin-adiabats with analytic nonadiabatic derivative couplings. The Journal of Chemical Physics. 152: 044112. PMID 32007078 DOI: 10.1063/1.5126440  0.612
2015 Fatehi S, Steele RP. Multiple-Time Step Ab Initio Molecular Dynamics Based on Two-Electron Integral Screening. Journal of Chemical Theory and Computation. 11: 884-98. PMID 26579742 DOI: 10.1021/Ct500904X  0.658
2015 Subotnik JE, Alguire EC, Ou Q, Landry BR, Fatehi S. The requisite electronic structure theory to describe photoexcited nonadiabatic dynamics: nonadiabatic derivative couplings and diabatic electronic couplings. Accounts of Chemical Research. 48: 1340-50. PMID 25932499 DOI: 10.1021/Acs.Accounts.5B00026  0.753
2015 Shao Y, Gan Z, Epifanovsky E, Gilbert ATB, Wormit M, Kussmann J, Lange AW, Behn A, Deng J, Feng X, Ghosh D, Goldey M, Horn PR, Jacobson LD, Kaliman I, ... ... Fatehi S, et al. Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Molecular Physics. 113: 184-215. DOI: 10.1080/00268976.2014.952696  0.732
2014 Ou Q, Fatehi S, Alguire E, Shao Y, Subotnik JE. Derivative couplings between TDDFT excited states obtained by direct differentiation in the Tamm-Dancoff approximation. The Journal of Chemical Physics. 141: 024114. PMID 25028006 DOI: 10.1063/1.4887256  0.645
2014 Alguire EC, Fatehi S, Shao Y, Subotnik JE. Analysis of localized diabatic states beyond the condon approximation for excitation energy transfer processes. The Journal of Physical Chemistry. A. 118: 11891-900. PMID 24447246 DOI: 10.1021/Jp411107K  0.638
2014 Ou Q, Fatehi S, Alguire E, Shao Y, Subotnik JE. Publisher's Note: “Derivative couplings between TDDFT excited states obtained by direct differentiation in the Tamm-Dancoff approximation” [J. Chem. Phys. 141, 024114 (2014)] The Journal of Chemical Physics. 141: 069903. DOI: 10.1063/1.4891539  0.604
2013 Fatehi S, Alguire E, Subotnik JE. Derivative couplings and analytic gradients for diabatic states, with an implementation for Boys-localized configuration-interaction singles. The Journal of Chemical Physics. 139: 124112. PMID 24089755 DOI: 10.1063/1.4820485  0.639
2012 Liu X, Fatehi S, Shao Y, Veldkamp BS, Subotnik JE. Communication: Adjusting charge transfer state energies for configuration interaction singles: without any parameterization and with minimal cost. The Journal of Chemical Physics. 136: 161101. PMID 22559462 DOI: 10.1063/1.4705757  0.593
2012 Fatehi S, Subotnik JE. Derivative couplings with built-in electron-translation factors: Application to benzene Journal of Physical Chemistry Letters. 3: 2039-2043. DOI: 10.1021/Jz3006173  0.651
2011 Fatehi S, Alguire E, Shao Y, Subotnik JE. Analytic derivative couplings between configuration-interaction-singles states with built-in electron-translation factors for translational invariance. The Journal of Chemical Physics. 135: 234105. PMID 22191862 DOI: 10.1063/1.3665031  0.675
2010 Schwartz CP, Fatehi S, Saykally RJ, Prendergast D. Importance of electronic relaxation for inter-coulombic decay in aqueous systems. Physical Review Letters. 105: 198102. PMID 21231199 DOI: 10.1103/Physrevlett.105.198102  0.7
2010 Fatehi S, Schwartz CP, Saykally RJ, Prendergast D. Nuclear quantum effects in the structure and lineshapes of the N2 near-edge x-ray absorption fine structure spectrum. The Journal of Chemical Physics. 132: 094302. PMID 20210393 DOI: 10.1063/1.3324889  0.703
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