Skip to Main content Skip to Navigation


The LCPQ is based at the University of Toulouse. The research at LCPQ covers a large variety of topics dedicated to Theoretical-mostly Quantum- Chemistry and Theoretical Molecular Physics. The LCPQ is member of IRSAMC (The Institute of Research on Complex Atomic and Molecular Systems).

Before 2007 => Look at The Quantum Physics Laboratory HAL-LPQ.

Publisher copyright policies & self-archiving


New submit

Last submission

[hal-02899747] Beyond the electric-dipole approximation in simulations of x-ray absorption spectroscopy: Lessons from relativistic theory


[hal-02481706] The DIRAC code for relativistic molecular calculations


[hal-02156273] Non-adiabatic molecular dynamics investigation of the size dependence of the electronic relaxation in polyacenes


[hal-03102204] On the spin-state dependence of redox potentials of spin crossover complexes


[hal-03096690] Ground and excited electronic states of AuH2via detachment energies on AuH2− using state-of-the-art relativistic calculations