On the exact treatment of Time Dependent Self-Interaction Correction

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dc.creatorMessud, J.
dc.creatorDinh, P. M.
dc.creatorReinhard, P. -G.
dc.creatorSuraud, E.
dc.date2008-11-18
dc.date.accessioned2026-07-07T12:47:27Z
dc.date.available2026-07-07T12:47:27Z
dc.descriptionWe present a new formulation of the time-dependent self-interaction correction (TDSIC). It is derived variationally obeying explicitly the constraints on orthonormality of the occupied single-particle orbitals. The thus emerging rather involved symmetry condition amongst the orbitals is dealt with using two separate sets of (occupied) single-particle wavefunctions, related by a unitary transformation. The double-set TDSIC scheme is well suited for numerical implementation. We present results for laser-excited dynamics in a 1D model for a molecule and in fully fledged 3D calculations.
dc.description33 pages, 6 figures, 46 references
dc.identifierhttps://arxiv.org/abs/0811.2856
dc.identifierhttp://arxiv.org/abs/0811.2856
dc.identifierAnn. Phys. (N.Y.) 324 (2009) 955
dc.identifierdoi:10.1016/j.aop.2008.12.001
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/221729
dc.subjectQuantum Physics
dc.titleOn the exact treatment of Time Dependent Self-Interaction Correction
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