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Castro, A., Isla, M., Martínez, José I., Alonso, J.A. (2012) Scattering of a proton with the Li4 cluster: Non-adiabatic molecular dynamics description based on time-dependent density-functional theory. Chemical Physics, 399. 130-134 doi:10.1016/j.chemphys.2011.07.005

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Reference TypeJournal (article/letter/editorial)
TitleScattering of a proton with the Li4 cluster: Non-adiabatic molecular dynamics description based on time-dependent density-functional theory
JournalChemical Physics
AuthorsCastro, A.Author
Isla, M.Author
Martínez, José I.Author
Alonso, J.A.Author
Year2012 (May)Volume399
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2011.07.005Search in ResearchGate
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Mindat Ref. ID5962954Long-form Identifiermindat:1:5:5962954:2
GUID0
Full ReferenceCastro, A., Isla, M., Martínez, José I., Alonso, J.A. (2012) Scattering of a proton with the Li4 cluster: Non-adiabatic molecular dynamics description based on time-dependent density-functional theory. Chemical Physics, 399. 130-134 doi:10.1016/j.chemphys.2011.07.005
Plain TextCastro, A., Isla, M., Martínez, José I., Alonso, J.A. (2012) Scattering of a proton with the Li4 cluster: Non-adiabatic molecular dynamics description based on time-dependent density-functional theory. Chemical Physics, 399. 130-134 doi:10.1016/j.chemphys.2011.07.005
In(n.d.) Chemical Physics Vol. 399. Elsevier BV

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Martinez, J. I., Castro, A., Rubio, A., Alonso, J. A. (2006) Photoabsorption spectra of Ti8C12 metallocarbohedrynes: Theoretical spectroscopy within time-dependent density functional theory. The Journal of Chemical Physics, 125 (7). 74311pp. doi:10.1063/1.2263732
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Martínez, J. I., Castro, A., Rubio, A., Alonso, J. A. (2006) Optical Absorption Spectra of V+4 Isomers: One Example of First-Principles Theoretical Spectroscopy with Time-Dependent Density Functional Theory. Journal of Computational and Theoretical Nanoscience, 3 (5). 761-766 doi:10.1166/jctn.2006.014
Martínez, J. I., Castro, A., Rubio, A., Alonso, J. A. (2006) Optical Absorption Spectra of V+4 Isomers: One Example of First-Principles Theoretical Spectroscopy with Time-Dependent Density Functional Theory. Journal of Computational and Theoretical Nanoscience, 3 (5). 761-766 doi:10.1166/jctn.2006.3058
Castro, A, Gross, E K U (2014) Optimal control theory for quantum-classical systems: Ehrenfest molecular dynamics based on time-dependent density-functional theory. Journal of Physics A: Mathematical and Theoretical, 47. 25204pp. doi:10.1088/1751-8113/47/2/025204
Baer, Roi (2002) Non-adiabatic couplings by time-dependent density functional theory. Chemical Physics Letters, 364. 75-79 doi:10.1016/s0009-2614(02)01214-9
Bil, Andrzej, Latajka, Zdzisław, Morrison, Carole A. (2014) Density functional theory based molecular dynamics simulations of C70O3 doped with light molecules. Chemical Physics, 428. 121-126 doi:10.1016/j.chemphys.2013.10.011
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