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Publications

4 resultats trouvés
Auteur Titre Type [ Année(Asc)]
Filtres: Auteur est Natarajan, Bhaarathi  [Clear All Filters]
2021
Effect of varying the TD-lc-DFTB range-separation parameter on charge and energy transfer in a model pentacene/buckminsterfullerene heterojunction, Darghouth, Ala Aldin M. H., Casida Mark E., Zhu Xi(朱熹), Natarajan Bhaarathi, Su Haibin(蘇海斌, Humeniuk Alexander, Titov, ii Evgen, Miao Xincheng(缪昕丞, and Mitrić Roland , J. Chem. Phys., Volume 154, p.054102, (2021)
2014
Wavelet-based linear-response time-dependent density-functional theory [Erratum to document cited in CA157:210410]., Natarajan, Bhaarathi, Genovese Luigi, Deutsch Thierry, and Casida Mark E. , Chem. Phys., Volume 436-437, p.63–64, (2014)
2012
Wavelet-based linear-response time-dependent density-functional theory., Natarajan, Bhaarathi, Genovese Luigi, Casida Mark E., Deutsch Thierry, Burchak Olga N., Philouze Christian, and Balakirev Maxim Y. , Chem. Phys., Volume 402, p.29–40, (2012)
2010
Assessment of noncollinear spin-flip Tamm-Dancoff approximation time-dependent density-functional theory for the photochemical ring-opening of oxirane., Huix-Rotllant, Miquel, Natarajan Bhaarathi, Ipatov Andrei, C Wawire Muhavini, Deutsch Thierry, and Casida Mark E. , Phys. Chem. Chem. Phys., Volume 12, Number 39, p.12811–12825, (2010)