Quantum Chemistry Course
This course equips you with quantum chemistry techniques to predict spectra, energies, and structures of conjugated systems. Explore Hückel, DFT, and ab initio approaches, select appropriate theory levels, and create solid workflows for research and chemical innovation. Ideal for advancing your computational chemistry expertise in practical applications.

from 4 to 360h flexible workload
certificate valid in your country
What will I learn?
Gain key skills in quantum chemistry to analyse and forecast electronic structures in conjugated molecules. Study Hückel, semiempirical, Hartree-Fock, post-HF, and DFT methods. Apply them to calculate geometries, spectra, ionisation energies, and excitations. Develop practical workflows, check results, and present findings clearly for dependable computational research.
Elevify advantages
Develop skills
- Apply Hückel and semiempirical methods for quick π-system predictions.
- Choose ab initio and DFT methods balancing accuracy, cost, and properties.
- Calculate and analyse HOMO-LUMO gaps, spectra, and electronic properties.
- Develop reliable quantum chemistry workflows with setup and fixes.
- Validate results and document computations clearly and reproducibly.
Suggested summary
Before starting, you can change the chapters and workload. Choose which chapter to start with. Add or remove chapters. Increase or decrease the course workload.What our students say
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