Advanced Topics in Quantum Chemistry

Period of duration of course
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Course info
Number of course hours
40
Number of hours of lecturers of reference
40
Number of hours of supplementary teaching
0
CFU 6
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Modalità esame

Oral exam and seminars

Prerequisiti

Quantum Mechanics and fundamentals of theoretical chemistry. IV and V year and PhD students.

Programma

The aim of the course is to discuss the quantum-mechanical fundamentals of intermolecular interactions, and the main QM methods exploited to partition the
interaction energy in the different energetic contributions: electrostatics, polarization, exchange, repulsion, dispersion, and charge-transfer. The course will
provide the students with the theoretical and computational skills to evaluate the accuracy of the different methods. Some aspects will be highlighted with hands-on sessions targeting real-case scenarios.

Obiettivi formativi

The students will understand the physico-chemical fundamentals of intermolecular interactions and the approximations of the different computational approaches to partition the interaction energy.

Riferimenti bibliografici

Bibliography will be indicated to the enrolled students.