Charge and Energy Transfer Dynamics in Molecular Systems: Introduction

• Post by: Bjoern Baumeier
• December 24, 2018
• 1 Comment

Table of Contents

1. Quantum theory of molecular many-particle systems
   1. Molecular Schrödinger Equation
   2. Born-Oppenheimer Separation and the adiabatic approximation
   3. Electronic structure methods: overview
      • Non-interacting single-particles
      • The Hartree-Fock method
      • Density-Functional Theory
      • Comparison of single-particle and excitation energies

Introduction

Suggested literature:

1. V. May and O. Kühn, “Charge and Energy Transfer Dynamics in Molecular Systems”, 3rd, Revised and Enlarged Edition, Wiley-VCH, 2011
2. C.J. Kramer, “Essentials of Computational Chemistry”, 2nd Edition, Wiley, 2008