Advanced Topics in Quantum Chemistry

Anno accademico 2025/2026
Docente Roberto Cammi, Chiara Cappelli

Modalità d'esame

<p>Report or seminar.</p>

Prerequisiti

The course is intended for PhD students.

Programma insegnamento

Introduction to quantum/classical embedding approaches in quantum chemistry.

Continuum embedding approaches: general features and the specific case of the Polarizable Continuum Model.

Continuous versus atomistic embedding approaches.

Fully atomistic approaches: mechanical/electrostatic and polarizable embedding.

Polarizable embedding approaches based on fluctuating charges/dipoles.

Formulation of embedding approaches in computational spectroscopy.

Application of embedding approaches to study spectral properties of systems in solution.