Andrea PELUSO | MOLECULAR RESPONSE PROPERTIES
Andrea PELUSO MOLECULAR RESPONSE PROPERTIES
cod. 0522300042
MOLECULAR RESPONSE PROPERTIES
0522300042 | |
DEPARTMENT OF CHEMISTRY AND BIOLOGY "ADOLFO ZAMBELLI" | |
EQF7 | |
CHEMISTRY | |
2018/2019 |
OBBLIGATORIO | |
YEAR OF COURSE 1 | |
YEAR OF DIDACTIC SYSTEM 2016 | |
PRIMO SEMESTRE |
SSD | CFU | HOURS | ACTIVITY | |
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CHIM/02 | 7 | 56 | LESSONS | |
CHIM/02 | 2 | 24 | LAB | |
CHIM/02 | 3 | 36 | EXERCISES |
Objectives | |
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KNOWLEDGE AND UNDERSTANDING THE COURSE AIMS AT PROVIDING THE PHYSICAL AND CHEMICAL PRINCIPLES THAT GOVERN THE PROPERTIES OF MOLECULES AND MATERIALS FOR THE BIOSUSTAINABLE DEVELOPMENT AND TO DEVELOP AWARENESS OF THE ROLE OF THE ABOVE PROPERIES FOR TECHNOLOGICAL APPLICATIONS (EG. IN ORGANIC ELECTRONICS, SOLAR CELLS, PHOTONIC). APPLYING KNOWLEDGE AND UNDERSTANDING THE NUMERICAL EXERCISES WILL ALLOW YOU TO BECOME FAMILIAR WITH PROGRAMS ALREADY AVAILABLE, AND TO ADDRESS INDEPENDENTLY THE COMPUTATIONAL STUDY OF MOLECULAR STRUCTURES AND SUPRAMOLECULAR AGGREGATES. MAKING JUDGMENTS THE STUDENT WILL BE ABLE TO CRITICALLY DISCUSS THE VALIDITY OF THE RESULTS OBTAINED IN DISCUSSIONS PROMOTED BY THE TEACHER IN THE LABORATORY GROUP. COMMUNICATION SKILLS THE COURSE WILL ENABLE STUDENTS TO ACQUIRE THE APPROPRIATE TERMINOLOGY TO DESCRIBE THE MOLECULAR PROPERTIES OF MATERIALS, ALSO BY READING ARTICLES PUBLISHED IN INTERNATIONAL JOURNALS. |
Prerequisites | |
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A BASIC KNOWLEDGE OF CLASSICAL MECHANICS, ELECTROMAGNETISM. LINEAR ALGEBRA, CALCULUS, GENERAL AND ORGANIC CHEMISTRY. |
Contents | |
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THE DAWN OF QUANTUM MECHANICS: BLACK BODY RADIATION; THE PHOTOELECTRIC EFFECT; THE WAVE HYPOTHESIS. PROBABILITY AMPLITUDES; UNCERTAINTY PRINCIPLE. FERMIONS AND BOSONS. OPERATORS AND THEIR MATRIX REPRESENTATION. THE WAVE FUNCTION AND THE SCHROEDINGER EQUATION. ANGULAR MOMENTUM. HYDROGENLIKE SYSTEMS. APPROXIMATE METHODS: THE VARIATIONAL PRINCIPLE, THE LINEAR VARIATIONAL METHOD. PERTURBATION THEORY. THE HELIUM ATOM. THE SPIN. MANY ELECTRON ATOMS. THE ROOTHAN-HARTREE-FOCK-SLATER METHOD. ATOMIC TERMS. DIATOMIC MOLECULES. H2 + AND H2, THE LCAO METHOD, MOLECULAR TERMS, THE VB THEORY; THE HARTREE-FOCK METHOD FOR MOLECULES. POLYATOMIC MOLECULES: HYBRID ORBITALS AND CHEMICAL BONDING. THE DENSITY FUNCTIONAL THEORY. ELECTRICAL PROPERTIES OF MOLECULES; INTERACTION OF MOLECULES WITH THE ELECTRIC FIELD. RESPONSE PROPERTIES. INTERMOLECULAR INERACTIONS: ELECTROSTATIC, EXCHANGE, INDUCTION AND DISPERSION FORCES. SECOND AND THIRD ORDER SUSCEPTIBILITY. NON-LINEAR OPTICAL PROCESSES. THE TWO-STATE MODEL.. |
Teaching Methods | |
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TEACHING INCLUDES LECTURES FOR A TOTAL OF 56 HOURS (7 CREDITS), NUMERICAL AND PRACTICAL EXERCISES FOR 36 HOURS (3 CREDITS) AND LABORATORY FOR A TOTAL OF 24 HOURS (2 CREDITS). THE CLASSROOM ATTENDANCE RATE IS STRONGLY RECOMMENDED AND THAT OF LABORATORY EXERCISES IS MANDATORY. TO BE ABLE TO ACCESS TO THE FINAL EXAM, STUDENTS MUST HAVE ATTENDED AT LEAST 75% OF THE EXPECTED LABORATORY HOURS. THE ATTENDANCE VERIFICATION MODE IS ANNOUNCED BY THE TEACHER AT THE BEGINNING OF THE COURSE. |
Verification of learning | |
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THE ACHIEVEMENT OF THE TEACHING OBJECTIVES IS CERTIFIED BY PASSING AN UNIVERSITY SCHEDULED EXAMINATION SCORED FROM 0-30. THE FINAL TEST CONSISTS OF AN ORAL EXAM. ACCESS TO ORAL EXAMINATION IS ALLOWED ONLY AFTER DELIVERING WRITTEN REPORTS OF THE LAB WORKS. THE ORAL TEST STARTS WITH A QUESTION ON THE LAB ACTIVITY MADE BY THE STUDENT, FOLLOWED BY AN INTERVIEW WITH QUESTIONS AND DISCUSSIONS ON THEORETICAL AND METHODOLOGICAL CONTENT LISTED IN THE TEACHING PROGRAM AND IS DESIGNED TO ENSURE THE LEVEL OF KNOWLEDGE AND SKILL UNDERSTANDING REACHED BY THE STUDENT, AS WELL AS TESTING THE EXPOSURE CAPACITY BY USING THE APPROPRIATE TERMINOLOGY AND THE ABILITY TO AUTONOMOUSLY ORGANIZE EXPOSURE OF THE TEACHING CONTENT. |
Texts | |
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D.A. MCQUARRIE, J. D. SIMON "PHYSICAL CHEMISTRY: A MOLECULAR APPROACH"; J.J SAKURAI: "MODERN QUANTUM MECHANICS"; A. P. FRENCH, E.F.TAYLOR "AN INTRODUCTION TO QUANTUM PHYSICS"; ROBERT W. BOYD "NONLINEAR OPTICS". I.N. LEVINE "QUANTUM CHEMISTRY"; P. NORMAN, K. RUUD, T. SAUE: "PRINCIPLES AND PRACTICES OF MOLECULAR PROPERTIES: THEORY, MODELING, AND SIMULATIONS" |
More Information | |
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TEACHING IS ENTIRELY DONE ON THE CHALKBOARD TO ALLOW STUDENTS TO FOLLOW IT MORE CLOSELY; LECTURE NOTES ARE AVAILABLE FOR SPECIFIC TOPICS. |
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