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Shervin Fatehi

Showing results (1-10 of 14) with videos related to

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Journal of Chemical Theory and Computation|November 19, 2015
Multiple-Time Step Ab Initio Molecular Dynamics Based on Two-Electron Integral ScreeningShervin Fatehi, Ryan P Steele
The Journal of Chemical Physics|October 5, 2013
Derivative couplings and analytic gradients for diabatic states, with an implementation for Boys-localized configuration-interaction singlesShervin Fatehi, Ethan Alguire, Joseph E Subotnik
The Journal of Chemical Physics|December 24, 2011
Analytic derivative couplings between configuration-interaction-singles states with built-in electron-translation factors for translational invarianceShervin Fatehi, Ethan Alguire, Yihan Shao, et al.
The Journal of Chemical Physics|March 10, 2010
Nuclear quantum effects in the structure and lineshapes of the N2 near-edge x-ray absorption fine structure spectrumShervin Fatehi, Craig P Schwartz, Richard J Saykally, et al.
The Journal of Physical Chemistry. A|January 23, 2014
Analysis of localized diabatic states beyond the condon approximation for excitation energy transfer processesEthan C Alguire, Shervin Fatehi, Yihan Shao, et al.
Physical Review Letters|January 15, 2011
Importance of electronic relaxation for inter-coulombic decay in aqueous systemsCraig P Schwartz, Shervin Fatehi, Richard J Saykally, et al.
The Journal of Chemical Physics|February 3, 2020
TD-DFT spin-adiabats with analytic nonadiabatic derivative couplingsNicole Bellonzi, Ethan Alguire, Shervin Fatehi, et al.
The Journal of Chemical Physics|July 17, 2014
Derivative couplings between TDDFT excited states obtained by direct differentiation in the Tamm-Dancoff approximationQi Ou, Shervin Fatehi, Ethan Alguire, et al.
The Journal of Chemical Physics|May 8, 2012
Communication: Adjusting charge transfer state energies for configuration interaction singles: without any parameterization and with minimal costXinle Liu, Shervin Fatehi, Yihan Shao, et al.
Accounts of Chemical Research|May 2, 2015
The requisite electronic structure theory to describe photoexcited nonadiabatic dynamics: nonadiabatic derivative couplings and diabatic electronic couplingsJoseph E Subotnik, Ethan C Alguire, Qi Ou, et al.
Pageof 2

Showing results (1-10 of 14) with videos related to

Sort By:
Pageof 2
Journal of Chemical Theory and Computation|November 19, 2015
Multiple-Time Step Ab Initio Molecular Dynamics Based on Two-Electron Integral ScreeningShervin Fatehi, Ryan P Steele
The Journal of Chemical Physics|October 5, 2013
Derivative couplings and analytic gradients for diabatic states, with an implementation for Boys-localized configuration-interaction singlesShervin Fatehi, Ethan Alguire, Joseph E Subotnik
The Journal of Chemical Physics|December 24, 2011
Analytic derivative couplings between configuration-interaction-singles states with built-in electron-translation factors for translational invarianceShervin Fatehi, Ethan Alguire, Yihan Shao, et al.
The Journal of Chemical Physics|March 10, 2010
Nuclear quantum effects in the structure and lineshapes of the N2 near-edge x-ray absorption fine structure spectrumShervin Fatehi, Craig P Schwartz, Richard J Saykally, et al.
The Journal of Physical Chemistry. A|January 23, 2014
Analysis of localized diabatic states beyond the condon approximation for excitation energy transfer processesEthan C Alguire, Shervin Fatehi, Yihan Shao, et al.
Physical Review Letters|January 15, 2011
Importance of electronic relaxation for inter-coulombic decay in aqueous systemsCraig P Schwartz, Shervin Fatehi, Richard J Saykally, et al.
The Journal of Chemical Physics|February 3, 2020
TD-DFT spin-adiabats with analytic nonadiabatic derivative couplingsNicole Bellonzi, Ethan Alguire, Shervin Fatehi, et al.
The Journal of Chemical Physics|July 17, 2014
Derivative couplings between TDDFT excited states obtained by direct differentiation in the Tamm-Dancoff approximationQi Ou, Shervin Fatehi, Ethan Alguire, et al.
The Journal of Chemical Physics|May 8, 2012
Communication: Adjusting charge transfer state energies for configuration interaction singles: without any parameterization and with minimal costXinle Liu, Shervin Fatehi, Yihan Shao, et al.
Accounts of Chemical Research|May 2, 2015
The requisite electronic structure theory to describe photoexcited nonadiabatic dynamics: nonadiabatic derivative couplings and diabatic electronic couplingsJoseph E Subotnik, Ethan C Alguire, Qi Ou, et al.
Pageof 2