<?xml version="1.0" encoding="ISO-8859-1"?><article xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
<front>
<journal-meta>
<journal-id>2304-0106</journal-id>
<journal-title><![CDATA[Anales de la Academia de Ciencias de Cuba]]></journal-title>
<abbrev-journal-title><![CDATA[Anales de la ACC]]></abbrev-journal-title>
<issn>2304-0106</issn>
<publisher>
<publisher-name><![CDATA[Academia de Ciencias de Cuba]]></publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id>S2304-01062022000300013</article-id>
<title-group>
<article-title xml:lang="es"><![CDATA[Métodos basados en la propagación de trayectorias para el estudio de la dinámica cuántica ultrarápida]]></article-title>
<article-title xml:lang="en"><![CDATA[Trajectory-based methods for the study of ultrafast quantum dynamics]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Uranga Piña]]></surname>
<given-names><![CDATA[Llinersy]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Cruz Rodríguez]]></surname>
<given-names><![CDATA[Lidice]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Martínez Mesa]]></surname>
<given-names><![CDATA[Aliezer]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Meier]]></surname>
<given-names><![CDATA[Christoph]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Bande]]></surname>
<given-names><![CDATA[Annika]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Berg]]></surname>
<given-names><![CDATA[Matthias]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Tremblay]]></surname>
<given-names><![CDATA[Jean Christophe]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Acosta Matos]]></surname>
<given-names><![CDATA[Juan Carlos]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Universidad de la Habana  ]]></institution>
<addr-line><![CDATA[ La Habana]]></addr-line>
<country>Cuba</country>
</aff>
<aff id="Af2">
<institution><![CDATA[,Universidad de Toulouse III  ]]></institution>
<addr-line><![CDATA[ Touluse]]></addr-line>
<country>Francia</country>
</aff>
<aff id="Af3">
<institution><![CDATA[,Centro Helmholtz  ]]></institution>
<addr-line><![CDATA[ Berlín]]></addr-line>
<country>Alemania</country>
</aff>
<aff id="Af4">
<institution><![CDATA[,Universidad de Lorraine  ]]></institution>
<addr-line><![CDATA[ Lorraine]]></addr-line>
<country>Francia</country>
</aff>
<aff id="Af5">
<institution><![CDATA[,Centro de Aplicaciones Tecnológicas y Desarrollo Nuclear  ]]></institution>
<addr-line><![CDATA[ La Habana]]></addr-line>
<country>Cuba</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>12</month>
<year>2022</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>12</month>
<year>2022</year>
</pub-date>
<volume>12</volume>
<numero>3</numero>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://scielo.sld.cu/scielo.php?script=sci_arttext&amp;pid=S2304-01062022000300013&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://scielo.sld.cu/scielo.php?script=sci_abstract&amp;pid=S2304-01062022000300013&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://scielo.sld.cu/scielo.php?script=sci_pdf&amp;pid=S2304-01062022000300013&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="es"><p><![CDATA[RESUMEN  Introducción.  Se desarrollaron métodos novedosos para la simulación computacional de la dinámica cuántica ultrarrápida en sistemas moleculares. Éstos fueron utilizados en el estudio de una amplia variedad de procesos dinámicos fotoinducidos en átomos, moléculas y sólidos.  Métodos.  La nueva metodología ha establecido una correspondencia entre el sistema cuántico original y un sistema clásico equivalente con un número mayor de dimensiones. Las ecuaciones de movimiento resultantes fueron integradas numéricamente utilizando algoritmos de paso de tiempo variable, los observables calculados fueron comparados con los resultados de la propagación de paquetes de onda.  Resultados.  La nueva metodología ha reproducido efectos cuánticos paradigmáticos como la energía de punto cero, el efecto túnel y la interferencia cuántica; su exactitud y eficiencia numérica ha superado las de otras herramientas computacionales disponibles en la actualidad. Se describieron correctamente fenómenos tan diversos como la fotoionización de un átomo por un pulso láser ultracorto, la predisociación vibracional de complejos de van der Waals, la dinámica electrónica en puntos cuánticos y la fotoexcitación de átomos de metales alcalinos en matrices de gases nobles.  Conclusiones.  La simulación de la dinámica cuántica de átomos, moléculas y sólidos demostró que las predicciones del método basado en la propagación de trayectorias interactuantes se han encontrado en excelente correspondencia con los observables calculados a partir de la solución directa de la ecuación de Schrödinger y con los datos experimentales disponibles. Adicionalmente, el método ha proporcionado una representación intuitiva de los procesos dinámicos, ya que las trayectorias han coincidido con las líneas de flujo de la densidad de probabilidad cuántica.]]></p></abstract>
<abstract abstract-type="short" xml:lang="en"><p><![CDATA[ABSTRACT  Introduction.  We developed and implemented novel methods for the computer simulation of ultrafast quantum dynamics in molecular systems, which were subsequently applied in the investigation of a wide variety of photoinduced dynamical processes in atoms, molecules and solids.  Methods.  The new methodology maps the dynamics of the original quantum system into that of an equivalent classical system with larger dimensionality. The resulting equations of motion were integrated numerically using algorithms with adaptive time step. The computed observables were compared with the results obtained via wavepacket propagation.  Results and discussion. The methodology reproduces paradigmatic quantum effects such as zero-point energy, tunnel effect and quantum interference; its accuracy and numerical efficiency surpasses those of alternative computational tools available nowadays. It accounts correctly for phenomena as diverse as the photoionization of an atom by an ultrashort laser pulse, the vibrational predissociation of van der Waals complexes, the electron dynamics in quantum dots and the photoexcitation of alkali metal atoms in rare gas matrices.  Conclusions.  It was concluded that the simulation of the quantum dynamics of atoms, molecules and solids has shown that the predictions of the interacting trajectory propagation scheme are in excellent agreement with the observables calculated from the direct solution of the Schrödinger equation, and with the available experimental data. Additionally, the method provides an intuitive representation of the dynamical processes, since the trajectories follow the flux lines of the quantum probability density.]]></p></abstract>
<kwd-group>
<kwd lng="es"><![CDATA[dinámica cuántica]]></kwd>
<kwd lng="es"><![CDATA[método de trayectorias cuánticas]]></kwd>
<kwd lng="es"><![CDATA[fotoionización]]></kwd>
<kwd lng="es"><![CDATA[predisociación vibracional]]></kwd>
<kwd lng="en"><![CDATA[quantum dynamics]]></kwd>
<kwd lng="en"><![CDATA[quantum trajectory method]]></kwd>
<kwd lng="en"><![CDATA[photoionization]]></kwd>
<kwd lng="en"><![CDATA[vibrational predissociation]]></kwd>
</kwd-group>
</article-meta>
</front><back>
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