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List of works by Shervin Fatehi

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

article

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

scientific article published on 21 January 2014

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

scientific article published in December 2011

Back in person, back to the races

scientific article published on 7 January 2022

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

scientific article published in April 2012

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

scientific article published in September 2013

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

scientific article published in July 2014

Importance of electronic relaxation for inter-coulombic decay in aqueous systems

scientific article published on 05 November 2010

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

scientific article

NextGen advises "Trying to Manage"

scientific article published on 01 October 2019

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

scientific article published in March 2010

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

scientific article published on 14 August 2014

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

scientific article published on 28 August 2021

TD-DFT spin-adiabats with analytic nonadiabatic derivative couplings

scientific article published on 01 January 2020

The requisite electronic structure theory to describe photoexcited nonadiabatic dynamics: nonadiabatic derivative couplings and diabatic electronic couplings

scientific article published on May 2015

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