SCHOOL WFS
Wavefunction methods for solid state matter (WFS-2025) – Spring 2025 – University of Gdańsk, Poland
What is the school about?
Wavefunction methods, including multiconfigurational theory, are well-established techniques for electronic structure calculations of both ground and excited states in chemistry and molecular spectroscopy. However, these methods have been seldom applied in the context of solid-state systems due to their computationally intensive nature and the requirement for additional approximations specifically designed for extended systems. Nevertheless, in recent years, several schemes have been developed that provide opportunities to apply wavefunction methods to solids. The aim of this workshop is to disseminate knowledge about such approaches and promote their understanding.
For whom it may be interesting?
Advanced master students, PhD students and postdocs working in the fields of chemistry, physics, materials science, etc., both experimental and theoretical
The Workshop philosophy is based on problem oriented learning.
Main topics to be covered include:
The electronic structure of solids
Symmetry and basic crystallography
Hartree-Fock/DFT with periodic boundary condition
Electronic correlation in molecules and in solids
Cluster and fragment embedding techniques
Relativistic effects and lanthanide chemistry
Properties (electron density, atomic charges, excited states)
The highlights
Lectures and practical exercises
“Bring your own” project/problem session
Time for discussions
Poster session
