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A schematic representation of the ingredients of a molecule: nuclei (black) and electrons (red).

Quantum theory of molecular many-particle systems

I. Quantum theory of molecular many-particle systems These notes are part of a full lecture about “Charge and Energy Transfer Dynamics in Molecular Systems“. See its full Table of Contents. Table of Contents Molecular Schrödinger Equation Born-Oppenheimer Separation and the adiabatic approximation Electronic structure methods: overview Non-interacting single-particles The Hartree-Fock method Density-Functional Theory Comparison of […]

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Charge and Energy Transfer Dynamics in Molecular Systems: Introduction

Table of Contents Quantum theory of molecular many-particle systems Molecular Schrödinger Equation Born-Oppenheimer Separation and the adiabatic approximation 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: V. May and O. Kühn, “Charge and Energy Transfer Dynamics in Molecular Systems”, 3rd, Revised and Enlarged […]

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