Quantum Chemical Electronic Structure Methods

Related lectures (32)

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Explores the Hartree-Fock method, basis sets, Slater determinants, and quantum chemistry concepts like spin contamination and Hund's rule.

Explores Basis Set Superposition Error in quantum chemistry calculations and the Counter-Poise correction to estimate it.

Series covers diverse computational chemistry approaches and their applications in organic chemistry.

Covers basis set errors, Hartree-Fock methods, electron correlation, configuration interaction, and composite approaches in computational chemistry.

Explores different types of basis sets, polarization functions, and accuracy challenges in computational chemistry.

Explores basis sets in quantum chemistry, covering STOs, GTOs, and contracted Gaussian-Type Orbitals.

Introduces the fundamentals of quantum chemistry, including Hartree-Fock wavefunctions and density functional theory.

Explores types of basis sets, polarization, diffuse functions, Pople basis sets, and convergence in computational chemistry.

Covers the basics of quantum chemistry and the Hartree-Fock method.

Explores the Hartree-Fock method, emphasizing basis set errors and CP correction.