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| CHIM0208-1 | Quantum chemistry (including group theory) | |||||
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| Duration : | 40h Th, 15h Pr | |||||
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| Credits/ECTS : |
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| Holder(s) : | Jean‑Yves Raty, Françoise Remacle | |||||
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| Course contents : | Fundamentals of quantum chemistry with special emphasis on the concepts needed for the understanding of materials properties and reactivity at the molecular level | |||||
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| Course objective : | 0 Motivation and Introduction I. Postulates of quantum mechanics II. Harmonic oscillator and vibrational spectroscopy III. Rigid rotor and angular momentum IV. Motion in a central potential : the hydrogen atom V. Methods of approximation VI. The electron spin and the Pauli Principle VII. The Hatree-Fock method. | |||||
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| Prerequisites : | Fundamentals of linear algebra and differential equations | |||||
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| Workshops : | Partim quantum chemistry : 10h of exercises | |||||
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| Organization : | Patrim quantum chemistry : 30h at the first semester | |||||
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| Written notes : | Notes will be distributed at the first semester for both parts | |||||
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| Assessment : | Oral and written exam Partim Group theory (30%) The grade will be given according to the student's ability at assessing the symmetry of a molecule and at applying the tools of the theory of representation exam : the general interrogation takes place at the end of the course and exercises. The written exam duration is about two hours Partim Quantum Chemistry (70%) The grade will reflect how well the student understands the basic concepts of quantum mechanics and can solve exercices on these. The written exam will be exclusively devoted to solving exercises. The oral exam covers all the course | |||||
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| Contacts : | Partim Chimie Quantique : Francoise Remacle. Bureau R81, Bâtiment B6c Licence-Recherche Email : fremacle@ulg.ac.be Tél. 04 3662347 Partim théorie des groupes: J.Y. Raty jyraty@ulg.ac.be Département de Physique B5,ULg B-4000 Liège Tel.: 32-(0)4-3663747, Fax: 32-(0)4-3662990 | |||||
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| Remarks : | The course is complementary to the partim quantum mechanics of the course PHYS 238-1 | |||||
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ULg : Students and Studies Administration - Academic Affairs
Contact : Monique Marcourt, direction A.E.E.
Date of data : 27/02/2006
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