Quantum Chemistry Course
This course equips you with quantum chemistry techniques to predict molecular spectra, energies, and structures in 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
valid certificate 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, verify outcomes, and present findings effectively for dependable computational research.
Elevify advantages
Develop skills
- Apply Hückel and semiempirical methods for quick, accurate π-system predictions.
- Choose ab initio and DFT methods to optimise accuracy, cost, and property analysis.
- Calculate and analyse HOMO-LUMO gaps, spectra, and vital electronic properties.
- Develop reliable quantum chemistry workflows including setup, optimisation, and fixes.
- Validate results and document computations clearly for reproducibility.
Suggested summary
Before starting, you can change the chapters and the 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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