Academic year2016/17
CourseCHEMISTRY
Code191CC
Credits6
PeriodSemester 2
LanguageItalian
| Modules | Area | Type | Hours | Teacher(s) |
| CHIMICA TEORICA | CHIM/02 | LEZIONI | 48 | |
Programma non disponibile nella lingua selezionata
Knowledge
The student who successfully completes the course will have the ability to understand the main concepts of Quantum Mechanics and Theoretical Chemistry. In particualat the second quantization formalism will be largely discussed and used in the study of the most common many-body methods. The most commonly used methods in theoretical calculations are discussed and analyzed in some details.
Assessment criteria of knowledge
Written exam: the student must be able to work and manupulate the main equations related to the discussed methods.
Oral exam: the student must have a deep comprehension of the concepts related to the methods of Theoretical Chemistry.
Methods:
- Final oral exam
- Final written exam
Teaching methods
Delivery: face to face
Learning activities:
Attendance: Advised
Teaching methods:
Syllabus
Basic principles of Qauntum Mechanics. Second quantization: states and operators. Spin operators, Density matrices, Hartree-Fock method, Density Functional Theory.
Size Extensivity, Multi Configuration Hartree Fock, Configuration Interaction, Perturbative Methods, Coupled Cluster.
Bibliography
Any book about the principles of Quantum Chemistry
Updated: 14/11/2016 17:27
