Course Materials

Iulia Emilia Brumboiu

Molecular Excited States: Time-Dependent Density Functional Theory

(pdf)

Marta Gałyńska

Molecular Excited States: Multiconfigurational Methods

(pdf)

Mario Barbatti

1. Quantum mechanics
2. Dynamics
3. Case study
4. From quantum to classical

Josene M. Toldo 

Excited States Mixed Quantum-Classical Dynamics Part 1.

(pdf)

Excited States Mixed Quantum-Classical Dynamics Part 2-3.

(pdf)

Artur Nenov

Hybrid methods for computing the electronic structure of complex systems: QM/MM

(pdf)

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