Scientific Program MCTDH

Quantum Dynamics with the Multi-Configuration Time-Dependent Hartree (MCTDH) method : future and perspectives

This program will focus on quantum dynamics and more precisely on the future of the Multi Configuration Time Dependent Hartree (MCTDH) approach, one of the most successful methods to propagate multidimensional wavepackets and will cover a collection of important topics where chemistry and physics strongly overlap. MCTDH has been applied to very different fields: heterogeneous catalysis, reactive or non-reactive collisions, infrared spectroscopy, ultraviolet spectroscopy involving, or not, non-Born-Oppenheimer processes, photochemistry, processes guided by laser pulses, optimal control. The new variants MCTDHB and MCTDHF open the possibility to simulate the dynamics of Bosonic and Fermionic systems, respectively, in a systematic way. Several codes, that use the MCTDH approach have been developed independently, the most general one being the Heidelberg MCTDH package. MCTDH is at a pivotal period in its history, when several questions are rising: how is it possible to keep the main package as general as possible and to include the developments of the other groups ? What is the future of the approach and the package? Is it possible to create an international consortium gathering all the main developers and offering an official framework for those who want to participate in the development of the program or simply wish to use one of the variants of MCTDH? The proposed program will address these questions and will last for four weeks: the first week dedicated to a school for students, two weeks of intensive collaborations and the last week dedicated to a formal meeting on the future of MCTDH.

The idea of the present PSI2 program arose out of several discussions between Fabien Gatti and Olivier Dulieu during the program "Universality in Few-Body Systems" at the Kavli Institute for Theoretical Physics in Santa-Barbara in November-December 2016.

Scientific coordinators :

-Fabien Gatti, Institut des Sciences Moléculaires d'Orsay (ISMO), Université Paris-Saclay.

-Daniel Peláez-Ruiz, Laboratoire de Physique des Lasers, Atomes et Molécules (PhLAM), Université de Lille.

-Hans-Dieter Meyer, Institute of Physical Chemistry, Universität Heidelberg (Germany).

-Graham Worth, Department of Chemistry,University College London (UK).

For more details, please check the dedicated website :


logo cnrslogo rfct GRDI RFCCTGDR SPECMO

    GDR Atomes FroidsGDR UP