- Ponente: Juan J. Omiste. Instituto Madrileño de Estudios Avanzados en Nanociencia (IMDEA-Nanociencia).
- Fecha: Viernes 4 de Octubre
- Hora: a las 12:00 horas
- Lugar: Seminario del Departamento de Física Atómica, Molecular y Nuclear. Planta tercera del edificio de Física en la Facultad de Ciencias.
Resumen:
We present a study of the role of the electronic correlation in the attosecond dynamics of atoms by applying the time-dependent restricted-active-space self-consistent-field (TD-RASSCF) method [1-3]. Using the TD-RASSCF method we can systematically add electronic correlation to the system by changing the excitation schemes and active orbital spaces with and without a dynamic core, which allows us to monitor its effects at different levels of approximation.
For the ground-state many-electron wave functions, we compare the correlation energies with entropic measures of entanglement, showing that a larger magnitude of the correlation energy does not always correspond to a larger value of the considered entanglement measures. To evaluate the impact of correlation in a process involving continua, we consider the electronic dynamics in the photoionization induced by attosecond pulses. We show that including a dynamical core may significantly affect the ionization process, as we observe in the photoelectron spectra [4].
In addition, we apply the TD-RASSCF method to compute the ionization time-delay between two channels for different active spaces and excitation schemes, showing the major role played by the electronic correlation in the process [5,6]. The agreement with the experimental measurement confirms the accuracy of the TD-RASSCF method.
[1] Miyagi, H.; Madsen, L. B. Physical Review A 2013, 87, 062511
[2] Miyagi, H.; Madsen, L. B. Journal of Chemical Physics 2014, 140, 164309
[3] Miyagi, H.; Madsen, L. B. Physical Review A 2014, 89, 063416
[4] Omiste, J. J.; Madsen, L. B. Journal of Chemical Physics 2019, 150, 084305
[5] Omiste, J. J.; Li, W.; Madsen, L. B. Physical Review A 2017, 95, 053422
[6] Omiste, J. J.; Madsen, L. B. Physical Review A 2018, 97, 013422
Rosario González-Férez
Dpto de Física Atómica, Molecular y Nuclear
Instituto Carlos I de Física Teórica y Computacional
Universidad de Granada
email: rogonzal@ugr.es
Phone: +34 958 24 32 20