Quantum Chemistry Course
This course equips you with quantum chemistry techniques to predict spectra, energies, and structures of conjugated molecules. You will learn Hückel, DFT, and ab initio methods, select appropriate theory levels, and create dependable workflows for research and innovative chemical design. Perfect 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 to grasp and forecast electronic structures in conjugated systems through this targeted Quantum Chemistry course. Master Hückel, semiempirical, Hartree-Fock, post-HF, and DFT methods, then use them to calculate geometries, spectra, ionisation energies, and excitations. Develop solid workflows, check results properly, and present data clearly for trustworthy, publication-ready studies.
Elevify advantages
Develop skills
- Apply Hückel and semiempirical methods to quickly and accurately predict π-systems.
- Choose ab initio and DFT methods to optimise accuracy, cost, and desired properties.
- Calculate and analyse HOMO-LUMO gaps, spectra, and vital electronic properties.
- Develop strong quantum chemistry workflows including setup, optimisation, and fixes.
- Verify and document computational results with clear, repeatable reports.
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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