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Lista de obras de 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

artículo científico publicado en 2014

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

artículo científico publicado en 2011

Back in person, back to the races

artículo científico publicado en 2022

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

artículo científico publicado en 2012

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

artículo científico publicado en 2013

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

artículo científico publicado en 2014

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

artículo científico publicado en 2010

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

artículo científico publicado en 2015

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.

artículo científico publicado en 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)]

artículo científico publicado en 2014

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

artículo científico publicado en 2021

TD-DFT spin-adiabats with analytic nonadiabatic derivative couplings

artículo científico publicado en 2020

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

artículo científico

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