Information for foreign students


UNIWERSITY OF WARSAW

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

04


Subject

Foundations of Quantum Chemistry


No / course unit code


Semester

3

Type of course

Computer laboratory


Teaching hours
 per semester    per week

30            2

ECTS credits

3


Lecturer:

Dr. hab. Leszek Z. Stolarczyk,
Room: 537    Phone extn.: 377    email: leszek@tiger.chem.uw.edu.pl

Teaching Division:

Theoretical Chemistry and Crystallography Group

Educational and
professional goals:

Learning more details of the basic models of quantum chemistry: the theory and practice of quantum-chemical computations.

Course description:

A general characteristics of numerical methods employed in the theory of electronic structure, and examples of their applications in calculating the properties of atoms and molecules.
Applications of the SCF LCAO MO method, performing calculations with the help of computer programs available on the Internet:

- the importance of the basis set used in the calculation,

- the moleular-geometry optimization (the analysis of the input and output data),

- molecular shapes, a connection to the hybridization concept.

Required background:


Completed course of Mathematics and Physics.

Form of assessment:


Written graded test

Remarks:

This course is recommended for students who are not afraid of mathematics