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Molecular systems
15
"An orbital localization criterion based on the topological analysis of the electron localization function at correlated level"
(2018) Alcoba, D.R.;Oña, O.B.;Torre, A. (
...
)Tiznado, W. International Journal of Quantum Chemistry. 118(14)
"Sturmian approach to single photoionization of many electron atoms and molecules"
(2015) Granados-Castro, C.M.;Ancarani, L.U.;Gasaneo, G. (
...
)Ancarani L.U. International Conference on Many Particle Spectroscopy of Atoms, Molecules, Clusters and Surfaces, MPS 2014. 601(1)
"Energy dependence with the number of particles: Density and reduced density matrices functionals"
(2014) Miranda-Quintana, R.A.; Bochicchio, R.C. Chemical Physics Letters. 593:35-39
"An orbital localization criterion based on the topological analysis of the electron localization function"
(2013) Oña, O.B.;Alcoba, D.R.;Tiznado, W. (
...
)Lain, L. International Journal of Quantum Chemistry. 113(9):1401-1408
"Communication: Reduced density matrices in molecular systems: Grand-canonical electron states"
(2013) Bochicchio, R.C.; Miranda-Quintana, R.A.; Rial, D. Journal of Chemical Physics. 139(19)
"Note: Energy convexity and density matrices in molecular systems"
(2012) Bochicchio, R.C.; Rial, D. Journal of Chemical Physics. 137(22)
"Ground and excited state similarity studies by means of Fukui and dual-descriptor matrices"
(2012) Alcoba, D.R.;Lain, L.;Torre, A. (
...
)Tiznado, W. Chemical Physics Letters. 549:103-107
"Topology of the electron density in open-shell systems"
(2010) Lobayan, R.M.;Alcoba, D.R.;Bochicchio, R.C. (
...
)Lain, L. Journal of Physical Chemistry A. 114(2):1200-1206
"A specific heat anomaly in multiwall carbon nanotubes as a possible sign of orientational order-disorder transition"
(2010) Jorge, G.A.;Bekeris, V.;Escobar, M.M. (
...
)Candal, R.J. Carbon. 48(2):525-530
"On the measure of electron correlation and entanglement in quantum chemistry based on the cumulant of the second-order reduced density matrix"
(2010) Alcoba, D.R.; Bochicchio, R.C.; Lain, L.; Torre, A. Journal of Chemical Physics. 133(14)
"Energy decompositions according to physical space partitioning schemes: Treatments of the density cumulant"
(2007) Alcoba, D.R.; Torre, A.; Lain, L.; Bochicchio, R.C. Journal of Chemical Physics. 127(10)
"Correlated holes and their relationships with reduced density matrices and cumulants"
(2005) Bochicchio, R.C.; Torre, A.; Lain, L. Journal of Chemical Physics. 122(8)
"Electron-density topology in molecular systems: Paired and unpaired densities"
(2005) Lobayan, R.M.; Bochicchio, R.C.; Lain, L.; Torre, A. Journal of Chemical Physics. 123(14)
"Homoclinic motions in the vibrational spectra of floppy systems: The LiCN molecule"
(2005) Borondo, F.;Vergini, E.;Wisniacki, D.A. (
...
)Benito, R.M. Journal of Chemical Physics. 122(11)
"Spin populations for molecular systems"
(1991) Reale, H.F.; Bochicchio, R.C. Journal of Physics B: Atomic, Molecular and Optical Physics. 24(13):2937-2946
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