CTTC School 2019
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Varinia Bernales
An Introduction to Multiconfigurational Wave Function Theory
In this lecture, we will cover the fundamentals and applications of multireference wave function theory. We will review interesting applications in which multireference methods can be applied, including the electronic structure characterization of complexes and the proper selection of active spaces. Additional comparisons between multireference methods and density functional theory, together with their advantages and limitations will be discussed.
Mónica Calatayud
Carla Calvó y Ferran Feixas
Daniel Finkelstein-Shapiro
José Luís Gázquez
Farnaz Heidar-Zadeh
Ángel Martín Pendás
Juan E. Peralta
Verònica Postils
Eloy Ramos-Cordoba
Pedro Salvador
Atomic partitioning schemes for wavefunction analysis and effective atomic orbitals