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===Carla Calvó y Ferran Feixas===
 
===Carla Calvó y Ferran Feixas===
[[File:pdf.png]][[School_CTTC2019_MM_MD.pdf|<big>Slides.pdf</big>]]
+
[[File:pdf.png]][[Media:School_CTTC2019_MM_MD.pdf|<big>Slides.pdf</big>]]
  
 
===Daniel Finkelstein-Shapiro===
 
===Daniel Finkelstein-Shapiro===
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===José Luís Gázquez===
 
===José Luís Gázquez===
[[File:pdf.png]][[Schoolcttc2019-jlgazquez.pdf|<big>Slides.pdf</big>]]
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[[File:pdf.png]][[Media:Schoolcttc2019-jlgazquez.pdf|<big>Slides.pdf</big>]]
  
 
===Ángel Martín Pendás===
 
===Ángel Martín Pendás===

Version du 30 juin 2019 à 14:58

<<< CTTC 2019 School main page


Paul Ayers

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

Pdf.pngSlides.pdf

Carla Calvó y Ferran Feixas

Pdf.pngSlides.pdf

Daniel Finkelstein-Shapiro

Slides updated!

Pdf.pngSlides.pdf

Notebook

José Luís Gázquez

Pdf.pngSlides.pdf

Ángel Martín Pendás

Pdf.pngSlides.pdf

Juan E. Peralta

Pdf.pngSlides.pdf

Verònica Postils

Pdf.pngSlides.pdf

Eloy Ramos-Cordoba

Pdf.pngSlides.pdf

Pedro Salvador

Atomic partitioning schemes for wavefunction analysis and effective atomic orbitals

In this lecture we will review the fundamental differences between the so-called Hilbert-space and real-space analyses of the wavefunction. We will critically compare different real-space atomic partitionings currently used in the literature. We will also introduce the concept of effective atomic orbitals, which permit to establish a link between both Hilbert-space and real-spacen analysis. finally we will illustrate their usefulness by showing how they can be used to derive oxidations states from first principles.

Pdf.pngSlides.pdf

Alberto Vela

Pdf.png[[Media:Schoolcttc2019-avela.pdfSlides.pdf]]

Joel Yuen-Zhou

Fichier:Curso sin notas.pdf