First cycle
degree courses
Second cycle
degree courses
Single cycle
degree courses
School of Science
CHEMISTRY
Course unit
THEORETICAL CHEMISTRY
SC01101389, A.A. 2017/18

Information concerning the students who enrolled in A.Y. 2017/18

Information on the course unit
Degree course Second cycle degree in
CHEMISTRY
SC1169, Degree course structure A.Y. 2015/16, A.Y. 2017/18
N0
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Number of ECTS credits allocated 6.0
Type of assessment Mark
Course unit English denomination THEORETICAL CHEMISTRY
Department of reference Department of Chemical Sciences
Mandatory attendance No
Language of instruction English
Branch PADOVA

Lecturers
Teacher in charge Teacher in charge not defined yet.
Other lecturers BARBARA FRESCH

ECTS: details
Type Scientific-Disciplinary Sector Credits allocated
Core courses CHIM/02 Physical Chemistry 6.0

Mode of delivery (when and how)
Period Second semester
Year 1st Year
Teaching method frontal

Organisation of didactics
Type of hours Credits Hours of
teaching
Hours of
Individual study
Shifts
Lecture 6.0 48 102.0 No turn

Calendar
Start of activities 26/02/2018
End of activities 01/06/2018

Syllabus
Prerequisites: Basic knowledge in chemistry, physics and mathematics
Target skills and knowledge: The course develops the theoretical basis for the comprehension of molecular processes in condensed phases and for the interpretation of spectroscopic measurements.
Examination methods: Oral questions and (optional) written paper on a chosen subject
Assessment criteria: Evaluation will be based on the level of understanding of basic formal methods shown by the student, and on the capability of applying such methods to specific physico-chemical problems
Course unit contents: 1. Stochastic approaches to molecular motions

2. Linear response theory

3. Tensorial quantities and their transformation properties

4. Electronic structure calculations and open quantum system dynamics

5. Stochastic Thermodynamics
Planned learning activities and teaching methods: Frontal lectures and hands-on activities
Additional notes about suggested reading: Lecture notes and handouts

Reference books:

Szabo, A., and N.S. Ostlund. Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory. Dover Publications, 2012.

Weiss, U. Quantum Dissipative Systems. World Scientific, 2008.

Zwanzig, R. Nonequilibrium Statistical Mechanics. Oxford University Press, New York, 2001.

Gardiner, C. W. Handbook of stochastic methods, 3rd ed. Springer-Verlag, 2004.

Rose, M. E. Elementary Theory of Angular Momentum. Dover Publications, 1995.

Sekimoto, K. Stochastic Energetics, Lecture Notes in Physics Vol. 799. Springer, 2010.
Textbooks (and optional supplementary readings)