Journal of Physical Chemistry & Biophysics
Open Access

Monofluoride electronic structure material for laser cooling applications

International Conference and Trade fair on Laser Technology

July 20-22, 2015 Orlando, Florida, USA

Nayla El-Kork1, Farah Korjieh2, Ahmed Bentiba1 and Mahmoud Korek2

Posters-Accepted Abstracts: J Phys Chem Biophys

Abstract :

Monofluorides are presently advanced materials that are being considered as interesting candidates for laser cooling and ultracold trapping experiments. The later have different applications in the domains of precision spectroscopy, quantum computing, and nanolithography. We present in this work theoretical ab-initio calculation of the ground and excited electronic states of the mono fluoride compound material BeF. We use Complete Active Space Self Consistent Field (CASSCF) method with Multi Reference Configuration Interaction (MRCI), toinvestigate the corresponding molecular potential energy and electric dipole moment curves (variation as a function of internuclear distance). We deduce values of the corresponding spectroscopic constants: The internuclear distance Re, the harmonic frequency Ï?e, the rotational constants Be, the electronic transition energy with respect to the ground state Te, the Eign values Ev, the abscissas of the turning points Rmin and Rmax, the rotational constants Bv, and the centrifugal distortion constants Dv. Results agree well with experimental data.