Quantum Chemistry Course
This course equips you with quantum chemistry techniques to predict molecular spectra, energies, and structures in conjugated systems. Explore Hückel theory, DFT, and ab initio approaches. Learn to select appropriate theory levels and create robust workflows for reliable scientific investigations and molecular design in chemistry.
from 4 to 360h flexible workload
valid certificate in your country
What will I learn?
Gain core 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
- Use Hückel and semiempirical methods for quick π-system predictions.
- Choose ab initio and DFT methods balancing accuracy and efficiency.
- Calculate and analyse HOMO-LUMO gaps, spectra, and electronic properties.
- Develop strong quantum chemistry workflows for setup and optimisation.
- Validate results and document computations reproducibly.
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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