scholarly journals Performance of TDDFT Vertical Excitation Energies of Core‐Substituted Naphthalene Diimides

2020 ◽  
Vol 41 (15) ◽  
pp. 1448-1455 ◽  
Author(s):  
Ayush K. Narsaria ◽  
Julian D. Ruijter ◽  
Trevor A. Hamlin ◽  
Andreas W. Ehlers ◽  
Célia Fonseca Guerra ◽  
...  
Keyword(s):  
Excitation Energies ◽  
Vertical Excitation ◽  
Naphthalene Diimides ◽  
Vertical Excitation Energies

Exploring the Accuracy of a Low Scaling Similarity Transformed Equation of Motion Method for Vertical Excitation Energies

2017 ◽  
Vol 14 (1) ◽  
pp. 72-91 ◽  
Author(s):  
Achintya Kumar Dutta ◽  
Marcel Nooijen ◽  
Frank Neese ◽  
Róbert Izsák
Keyword(s):  
Equation Of Motion ◽  
Excitation Energies ◽  
Vertical Excitation ◽  
Motion Method ◽  
Vertical Excitation Energies

Vertical excitation energies for ribose and deoxyribose nucleosides

2007 ◽  
Vol 28 (11) ◽  
pp. 1776-1782 ◽  
Author(s):  
Remmick So ◽  
Saman Alavi
Keyword(s):  
Excitation Energies ◽  
Vertical Excitation ◽  
Vertical Excitation Energies

Assessment of n-Electron Valence State Perturbation Theory for Vertical Excitation Energies

2013 ◽  
Vol 9 (8) ◽  
pp. 3567-3580 ◽  
Author(s):  
Igor Schapiro ◽  
Kantharuban Sivalingam ◽  
Frank Neese
Keyword(s):  
Perturbation Theory ◽  
Valence State ◽  
Excitation Energies ◽  
Vertical Excitation ◽  
Vertical Excitation Energies

Ab initio calculation of some vertical excitation energies of N-methylacetamide

1978 ◽  
Vol 100 (23) ◽  
pp. 7201-7204 ◽  
Author(s):  
Larry E. Nitzsche ◽  
Ernest R. Davidson
Keyword(s):  
Ab Initio ◽  
Ab Initio Calculation ◽  
Excitation Energies ◽  
Vertical Excitation ◽  
Vertical Excitation Energies

Zero point corrections to vertical excitation energies

1998 ◽  
Vol 285 (3-4) ◽  
pp. 155-159 ◽  
Author(s):  
Ernest R. Davidson ◽  
Andrzej A. Jarzęcki
Keyword(s):  
Zero Point ◽  
Excitation Energies ◽  
Vertical Excitation ◽  
Vertical Excitation Energies
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