000060694 001__ 60694
000060694 005__ 20200221144229.0
000060694 0247_ $$2doi$$a10.1103/PhysRevA.94.063421
000060694 0248_ $$2sideral$$a98142
000060694 037__ $$aART-2016-98142
000060694 041__ $$aeng
000060694 100__ $$0(orcid)0000-0002-6662-5471$$aGómez Pueyo, A.
000060694 245__ $$aOptimal control with nonadiabatic molecular dynamics: Application to the Coulomb explosion of sodium clusters
000060694 260__ $$c2016
000060694 5060_ $$aAccess copy available to the general public$$fUnrestricted
000060694 5203_ $$aWe present an implementation of optimal control theory for the first-principles nonadiabatic Ehrenfest molecular dynamics model, which describes a condensed matter system by considering classical point-particle nuclei, and quantum electrons, handled in our case with time-dependent density-functional theory. The scheme is demonstrated by optimizing the Coulomb explosion of small sodium clusters: the algorithm is set to find the optimal femtosecond laser pulses that disintegrate the clusters, for a given total duration, fluence, and cutoff frequency. We describe the numerical details and difficulties of the method.
000060694 540__ $$9info:eu-repo/semantics/openAccess$$aby-nc-nd$$uhttp://creativecommons.org/licenses/by-nc-nd/3.0/es/
000060694 592__ $$a1.482$$b2016
000060694 593__ $$aAtomic and Molecular Physics, and Optics$$c2016$$dQ1
000060694 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000060694 700__ $$0(orcid)0000-0003-0094-3490$$aBudagosky, J.A.M.
000060694 700__ $$0(orcid)0000-0002-9253-7926$$aCastro, A.$$uUniversidad de Zaragoza
000060694 7102_ $$12004$$2405$$aUniversidad de Zaragoza$$bDpto. Física Teórica$$cÁrea Física Teórica
000060694 773__ $$g94, 6 (2016), 063421 [10 PP.]$$pPhys. rev., A At. mol. opt. phy.$$tPhysical review. A, Atomic, molecular, and optical physics$$x1050-2947
000060694 8564_ $$s623441$$uhttps://zaguan.unizar.es/record/60694/files/texto_completo.pdf$$yVersión publicada
000060694 8564_ $$s134225$$uhttps://zaguan.unizar.es/record/60694/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000060694 909CO $$ooai:zaguan.unizar.es:60694$$particulos$$pdriver
000060694 951__ $$a2020-02-21-13:18:51
000060694 980__ $$aARTICLE