SUBJECT
Title
Practical Course: Computational Methods for Electronic Structure
Type of instruction
practical
Level
Master
Faculty
Part of degree program
Credits
2
Recommended in
Semesters 1-4
Typically offered in
Autumn/Spring semester
Course description
This course is a supplement to the lecture “Computational methods for electronic structure” and gives the possibility to use the discussed methods in practice. Different molecular properties will be calculated by several program packages therefore the students will acquire advanced skills in application of electronic structure methods.
Readings
Compulsory:
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Lecture notes Suggested: Attila Szabo, Neil S. Oslund: Modern Quantum Chemistry, Dover Publications, 1996 Press, 2005
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Electronic Structure: Basic Theory and Practical Methods (v. 1) 1st Edition by Richard M. Martin, Cambridge University Press (2008)