Avijit SHEE - Soutenance en cours de traitement

Doctorat Physique de la Matière


Thèse soutenue le 26 janvier 2016 - Université de Toulouse

Ecole doctorale : SDM - SCIENCES DE LA MATIERE - Toulouse

Sujet : Etudes correlées de proprietés moléculaires dans un cadre relativiste

Mots-clés de la thèse : corrélation électronique,mécanique quantique relativiste,proprietés moleculaires,theorie de coupled cluster,

Direction de thèse : Trond SAUE

Co-encadrement de thèse : Timo FLEIG

Unité de recherche : LCPQ - Laboratoire de Chimie et Physique Quantiques UMR 5626 - Toulouse

Diplôme étranger - Master of Science

obtenu en juillet 2010 - Indian Association for the Cultivation of Science
Option : Subjects Categories: Physical Chemistry, Organic Chemistry and Inorganic Chemist

Production scientifique

- Adel Almoukhalalati, Trond Saue, Avijit Shee 2016. Nuclear size effects in vibrational spectra   Physical Chemistry Chemical Physics, 18, pp.15406-15417,
- Avijit Shee, Andre Severo Pereira Gomes, Lucas Visscher, Trond Saue 2016. Relativistic Coupled Cluster theory for the Calculation of Ground and Excited State Energies and Molecular Properties   , ,
- Avijit Shee, Stefan Knecht, Trond Saue 2015. A theoretical benchmark study of the spectroscopic constants of the very heavy rare gas dimers   Physical Chemistry Chemical Physics, 17, pp.10978-10986,
- Avijit Shee, Stefan Knecht and Trond Saue 2015. A theoretical benchmark study of the spectroscopic constants of the very heavy rare gas dimers   Physical Chemistry Chemical Physics, 17, 10978, http://dx.doi.org/10.1039/C5CP01094B
- S. Sen, A. Shee, D. Mukherjee 2013. A study of Ionisation and Excitation energies of Core Electrons Using a Unitary Group Adapted State Universal Approach   Molecular Physics, 111, 2477 , 10.1080/00268976.2013.802384
- Sangita Sen, Avijit Shee, Debashis Mukherjee 2013. A study of the ionisation and excitation energies of core electrons using a unitary group adapted state universal approach   Molecular Physics, 111, pp.2625-2639,
- Avijit Shee, Sangita Sen, Debashis Mukherjee 2013. Exploration of Various Aspects of UGA-SUMRCC: Size Extensivity, Possible Use of Sufficiency Conditions, and an Extension for Direct Determination of Energy Differences   Journal of Chemical Theory and Computation, 9, pp.2573-2590,

Langues Vivantes : Anglais C2 - Courant - Hindi C2 - Courant - Bengali C2 - Maternel
Dernière mise à jour le 5 novembre 2015