Density Functional Theory

5 credits

Course, Master's level, 1FA659

Spring 2025 Spring 2025, Uppsala, 33%, On-campus, English

Spring 2025 Spring 2025, Uppsala, 33%, On-campus, English For exchange students

About the course

In order to predict and understand the properties of materials in both qualitative and quantitative ways, one needs to have theories those can describe materials specific properties without any fitting parameters. Density functional theory (DFT) is such a first principles or ab initio theory.

This course is aimed at both students within physics as well as chemistry to provide the basic ideas of DFT. The course will discuss the concepts behind density functional theory based on the book A Chemist's Guide to Density Functional Theory. The standard approximations used to calculate the properties of the material will be discussed along with their success and failures.

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