Lecture

Basis set superposition error

Description

This lecture covers the Basis Set Superposition Error (BSSE) in quantum chemistry, explaining how it affects the calculation of binding energies and how the Counter-Poise correction can be used to estimate it. The lecture also discusses the impact of incomplete basis sets on weak interactions, emphasizing the importance of using appropriate basis sets for accurate calculations. Practical examples and guidelines for choosing basis sets are provided, highlighting the significance of investigating basis set effects in quantum chemical calculations. The lecture concludes with a quiz on the Hartree-Fock Approximation, addressing the approximation of the many-electron wavefunction as a single Slater determinant and its implications.

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