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Lecture
Multiconfigurational Methods
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Related lectures (32)
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Electronic Structure Methods
Covers basis set errors, Hartree-Fock methods, electron correlation, configuration interaction, and composite approaches in computational chemistry.
Quantum Chemistry Fundamentals
Introduces the fundamentals of quantum chemistry, including Hartree-Fock wavefunctions and density functional theory.
Quantum Chemical Electronic Structure Methods
Explores quantum chemical electronic structure methods, including basis sets and the Hartree-Fock method.
Electronic Structure Methods
Covers the derivation of Hartree-Fock equations, two-electron integrals, dynamical and static correlation, continuous basis functions, spin contamination, and the coupled cluster method.
Hartree-Fock Method: Basis Sets and Quantum Chemistry
Explores the Hartree-Fock method, basis sets, Slater determinants, and quantum chemistry concepts like spin contamination and Hund's rule.
Size Extensivity and Consistency in Quantum Chemistry
Explores size extensivity and consistency in quantum chemistry, post-Hartree-Fock methods, and perturbed wavefunction expansion.
Quantum Chemistry Fundamentals
Covers the basics of quantum chemistry and the Hartree-Fock method.
Basis set superposition error
Explores Basis Set Superposition Error in quantum chemistry calculations and the Counter-Poise correction to estimate it.
Hartree-Fock Method: Theory and Applications
Explores the Hartree-Fock method in quantum chemistry, emphasizing the variational principle and self-consistent solutions.
Q&A Session: Written Exam Details and Electronic Structure Methods
Covers written exam details and electronic structure methods for computational chemistry.
