Scheda programma d'esame
THEORETICAL CHEMISTRY
IVO CACELLI
Academic year2017/18
CourseCHEMISTRY
Code191CC
Credits6
PeriodSemester 2
LanguageItalian

ModulesAreaTypeHoursTeacher(s)
CHIMICA TEORICACHIM/02LEZIONI48
IVO CACELLI unimap
Programma non disponibile nella lingua selezionata
Learning outcomes
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:

  • attending lectures

Attendance: Advised

Teaching methods:

  • Lectures
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: 27/07/2017 09:19