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


Consulter la politique des éditeurs également sur


New submit

Last submission

[hal-02292638] Evaluating two-electron-repulsion integrals over arbitrary orbitals using zero variance Monte Carlo: Application to full configuration interaction calculations with Slater-type orbitals  (21/09/2019)  
[hal-01149053] Prediction of the Fate of Organic Compounds in the Environment From Their Molecular Properties: A Review  (20/09/2019)  
[hal-01741478] DFT rationalization of the room-temperature luminescence properties of Ru(bpy) 3 2+ and Ru(tpy) 2 2+ : 3MLCT–3MC minimum energy path from NEB calculations and emission spectra from VRES calculations  (21/09/2019)  
[hal-02156152] Line Profiles of the Calcium I Resonance Line in Cool Metal-polluted White Dwarfs  (21/09/2019)  
[hal-02136446] Computing of 93Nb NMR Parameters of Solid-State Niobates. The Geometry Matters  (21/09/2019)