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.
Covers eigenvalues, eigenfunctions, Hermitian operators, and the measurement of observables in quantum chemistry.
Covers quantum states, symmetries, fermions, and variational principles in quantum chemistry.
Discusses the need for Quantum Computers in simulating Quantum Chemistry and explores physically implementing them.
Covers topics in Quantum Chemistry, including history, tools, color & draw techniques, shapes, and mathematical conversions.
Covers the derivation of Hartree-Fock equations, two-electron integrals, dynamical and static correlation, continuous basis functions, spin contamination, and the coupled cluster method.
