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Baseggio, Oscar, Fronzoni, Giovanna, Stener, Mauro (2015) A new time dependent density functional algorithm for large systems and plasmons in metal clusters. The Journal of Chemical Physics, 143 (2). 24106pp. doi:10.1063/1.4923368

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Reference TypeJournal (article/letter/editorial)
TitleA new time dependent density functional algorithm for large systems and plasmons in metal clusters
JournalThe Journal of Chemical Physics
AuthorsBaseggio, OscarAuthor
Fronzoni, GiovannaAuthor
Stener, MauroAuthor
Year2015 (July 14)Volume143
Issue2
PublisherAIP Publishing
DOIdoi:10.1063/1.4923368Search in ResearchGate
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Mindat Ref. ID2380868Long-form Identifiermindat:1:5:2380868:1
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Full ReferenceBaseggio, Oscar, Fronzoni, Giovanna, Stener, Mauro (2015) A new time dependent density functional algorithm for large systems and plasmons in metal clusters. The Journal of Chemical Physics, 143 (2). 24106pp. doi:10.1063/1.4923368
Plain TextBaseggio, Oscar, Fronzoni, Giovanna, Stener, Mauro (2015) A new time dependent density functional algorithm for large systems and plasmons in metal clusters. The Journal of Chemical Physics, 143 (2). 24106pp. doi:10.1063/1.4923368
In(2015, July) The Journal of Chemical Physics Vol. 143 (2) AIP Publishing

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Baseggio, Oscar, Toffoli, Daniele, Fronzoni, Giovanna, Stener, Mauro, Sementa, Luca, Fortunelli, Alessandro (2016) Extension of the Time-Dependent Density Functional Complex Polarizability Algorithm to Circular Dichroism: Implementation and Applications to Ag8 and Au38(SC2H4C6H5)24. The Journal of Physical Chemistry C, 120 (42). 24335-24345 doi:10.1021/acs.jpcc.6b07323
Baseggio, Oscar, De Vetta, Martina, Fronzoni, Giovanna, Stener, Mauro, Sementa, Luca, Fortunelli, Alessandro, Calzolari, Arrigo (2016) Photoabsorption of Icosahedral Noble Metal Clusters: An Efficient TDDFT Approach to Large-Scale Systems. The Journal of Physical Chemistry C, 120 (23). 12773-12782 doi:10.1021/acs.jpcc.6b04709
Medves, Marco, Sementa, Luca, Toffoli, Daniele, Fronzoni, Giovanna, Fortunelli, Alessandro, Stener, Mauro (2020) An efficient hybrid scheme for time dependent density functional theory. The Journal of Chemical Physics, 152 (18) 184104pp. doi:10.1063/5.0005954
Baseggio, Oscar, Romeo, Michele, Fronzoni, Giovanna, Stener, Mauro (2013) The near-edge X-ray-absorption fine-structure of O2 chemisorbed on Ag(110) surface studied by density functional theory. Surface Science, 616. 178-185 doi:10.1016/j.susc.2013.06.013
Fronzoni, Giovanna, De Francesco, Renato, Stener, Mauro (2012) L2,3 edge photoabsorption spectra of bulk V2O5: A two components relativistic time dependent density functional theory description with finite cluster model. The Journal of Chemical Physics, 137 (22). 224308pp. doi:10.1063/1.4769789
Medves, Marco, Fronzoni, Giovanna, Stener, Mauro (2022) Optimization of density fitting auxiliary Slater‐type basis functions for time‐dependent density functional theory. Journal of Computational Chemistry, 43 (28) 1923-1935 doi:10.1002/jcc.26992
Fronzoni, Giovanna, Baseggio, Oscar, Stener, Mauro, Hua, Weijie, Tian, Guangjun, Luo, Yi, Apicella, Barbara, Alfé, Michela, de Simone, Monica, Kivimäki, Antti, Coreno, Marcello (2014) Vibrationally resolved high-resolution NEXAFS and XPS spectra of phenanthrene and coronene. The Journal of Chemical Physics, 141 (4). 44313pp. doi:10.1063/1.4891221
Toffoli, Daniele, Baseggio, Oscar, Fronzoni, Giovanna, Stener, Mauro, Fortunelli, Alessandro, Sementa, Luca (2019) Pd doping, conformational, and charge effects on the dichroic response of a monolayer protected Au38(SR)24 nanocluster. Physical Chemistry Chemical Physics, 21 (7). 3585-3596 doi:10.1039/c8cp04107e
Stener, M., Fronzoni, G., Decleva, P. (2005) Time-dependent density-functional theory for molecular photoionization with noniterative algorithm and multicenter B-spline basis set: CS2 and C6H6 case studies. The Journal of Chemical Physics, 122 (23). 234301pp. doi:10.1063/1.1937367
Stener, M., Nardelli, A., Fronzoni, G. (2008) Spin-orbit effects in the photoabsorption of WAu12 and MoAu12: A relativistic time dependent density functional study. The Journal of Chemical Physics, 128 (13). 134307pp. doi:10.1063/1.2884003
Stener, M., Toffoli, D., Fronzoni, G., Decleva, P. (2006) Time dependent density functional study of the photoionization dynamics of SF6. The Journal of Chemical Physics, 124 (11). 114306pp. doi:10.1063/1.2178799
 
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