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-02404254] A new spectroscopic method for measuring ferric diffusion coefficient in gelatin-based dosimeter gels  (22/01/2020)  
A new absorption spectroscopy method which enables rapid measurement of the diffusion coefficient of Fe3+ in gelatin gel used in dosimetry was investigated. The physical approach, the preparation and the experimental application of this new method were tested on the EasyDosit dosimetry gel and the results were validated by MRI measurement. The diffusion coefficients measured on this gel were then compared with those of the other gels presented in the literature. This gel, which is considered stable, has a small post-irradiation ion diffusion, despite the absence of a complexing or crosslinking agent. The diffusion coefficients of a range of dosimetry gels containing different proportions of gelatin were also measured and the results show diffusion coefficients D from 3.21.10(-10) m(2).s(-1) to 2.41.10(-10) m(2).s(-1).

[hal-02403915] Is ADC(3) as Accurate as CC3 for Valence and Rydberg Transition Energies?  (17/01/2020)  
[hal-02403471] A Mountaineering Strategy to Excited States: Highly-Accurate Energies and Benchmarks for Medium Size Molecules  (17/01/2020)  
[hal-02395774] Conical intersection properties unraveled by the position spread tensor  (10/01/2020)  
[hal-02391425] ARPES study of orbital character, symmetry breaking, and pseudogaps in doped and pure Sr 2 IrO 4  (10/01/2020)