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Lecture
Electronic Structure 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.
Size Extensivity and Consistency in Quantum Chemistry
Explores size extensivity and consistency in quantum chemistry, post-Hartree-Fock methods, and perturbed wavefunction expansion.
Q&A Session: Written Exam Details and Electronic Structure Methods
Covers written exam details and electronic structure methods for computational chemistry.
Quantum Chemical Electronic Structure Methods
Explores quantum chemical electronic structure methods, including basis sets and the Hartree-Fock method.
Hartree-Fock Methods: Types and Performance
Explores different types of HF methods, their performance, electron correlation, and post-HF methods.
Quantum Chemistry Fundamentals
Introduces the fundamentals of quantum chemistry, including Hartree-Fock wavefunctions and density functional theory.
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.
Basis set superposition error
Explores Basis Set Superposition Error in quantum chemistry calculations and the Counter-Poise correction to estimate it.
Multiconfigurational Methods
Covers multiconfigurational methods in quantum chemistry, exploring wave function flexibility, electron correlation, FCI wave function, and challenges in N₂ dissociation.
Quantum Chemistry Fundamentals
Covers the basics of quantum chemistry and the Hartree-Fock method.
