Explores Basis Set Superposition Error in quantum chemistry calculations and the Counter-Poise correction to estimate it.
Covers basis set errors, Hartree-Fock methods, electron correlation, configuration interaction, and composite approaches in computational chemistry.
Explores types of basis sets, polarization, diffuse functions, Pople basis sets, and convergence in computational chemistry.
Explores the solution of the Schrödinger equation for many-electron systems using basis sets and the concept of basis functions.
Covers the derivation of Hartree-Fock equations, two-electron integrals, dynamical and static correlation, continuous basis functions, spin contamination, and the coupled cluster method.
Explores electron density in chemistry, from atomic models to machine learning applications and implications for molecular properties and drug design.
