Information for foreign students


UNIWERSITY OF WARSAW

1 Pasteura Str., 02-093 Warsaw, Poland, phone: +48 (0)22 822 02 11

02


Subject

Introduction to Quantum Chemistry
- Laboratory


No / course unit code


Semester

3

Type of course

Computer laboratory


Teaching hours
 per semester    per week

30            2

ECTS credits

2


Lecturer:

Dr. Małgorzata Jeziorska,
Room: 536    Phone extn.: 207    email: mjezior@tiger.chem.uw.edu.pl

Teaching Division:

Theoretical Chemistry and Crystallography Group

Course goals:

Gaining better understanding of the concepts presented in the lecture Introduction to Quantum Chemistry. Using quantum chemical models: theory and computational practice.

Course description:

Solutions of problems using concepts presented in Introduction to Quantum Chemistry.
Applications of the SCF LCAO MO method:

· SCF LCAO MO calculations using suites of codes accessible via Internet

· the choice of the basis set and its influence on the results

· shapes of molecules, hybridization of atomic orbitals

· molecular geometry optimization within the SCF LCAO MO method
  (preparing input data and interpretation of results).

Required background:


Completed courses: Mathematics (level 0 or A) and Physics (A).

Form of assessment:


Test

Remarks:

-