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The role of relativity in the optical response of gold within the time-dependent current-density-functional theory.
Romaniello P, de Boeij PL. Romaniello P, et al. J Chem Phys. 2005 Apr 22;122(16):164303. doi: 10.1063/1.1884985. J Chem Phys. 2005. PMID: 15945680
We included relativistic effects in the formulation of the time-dependent current-density-functional theory for the calculation of linear response properties of metals [P. Romaniello and P. L. de Boeij, Phys. Rev. B (to be published)]. We treat the dominant s …
We included relativistic effects in the formulation of the time-dependent current-density-functional theory for the calculation of linear re …
On transition rates in surface hopping.
Escartín JM, Romaniello P, Stella L, Reinhard PG, Suraud E. Escartín JM, et al. Among authors: romaniello p. J Chem Phys. 2012 Dec 21;137(23):234113. doi: 10.1063/1.4770280. J Chem Phys. 2012. PMID: 23267477
Optical spectra of 2D monolayers from time-dependent density functional theory.
Di Sabatino S , Berger JA , Romaniello P . Di Sabatino S , et al. Among authors: romaniello p. Faraday Discuss. 2020 Dec 4;224(0):467-482. doi: 10.1039/d0fd00073f. Faraday Discuss. 2020. PMID: 32940315
To achieve this goal we adapted a recent approach we developed for the optical spectra of 3D systems [S. Cavo, J. A. Berger and P. Romaniello, Phys. Rev. B, 2020, 101, 115109] to those of 2D systems. Our approach relies on the link between the exchange-correlation k …
To achieve this goal we adapted a recent approach we developed for the optical spectra of 3D systems [S. Cavo, J. A. Berger and P. …
Double excitations in finite systems.
Romaniello P, Sangalli D, Berger JA, Sottile F, Molinari LG, Reining L, Onida G. Romaniello P, et al. J Chem Phys. 2009 Jan 28;130(4):044108. doi: 10.1063/1.3065669. J Chem Phys. 2009. PMID: 19191378
29 results