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Basis set superposition error
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Quantum Chemical Electronic Structure Methods
Explores quantum chemical electronic structure methods, including basis sets and the Hartree-Fock 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.
Computational Chemistry: Basics and Applications
Series covers diverse computational chemistry approaches and their applications in organic chemistry.
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.
Basis Sets II: Types and Accuracy
Explores different types of basis sets, polarization functions, and accuracy challenges in computational chemistry.
Hartree-Fock Method: Basis Set Superposition Error and CP Correction
Explores the Hartree-Fock method, emphasizing basis set errors and CP correction.
Hartree-Fock Methods: Types and Performance
Explores different types of HF methods, their performance, electron correlation, and post-HF methods.
Basis Sets: Types and Functional Forms
Explores basis sets in quantum chemistry, covering STOs, GTOs, and contracted Gaussian-Type Orbitals.
Quantum Chemistry: Eigenfunctions and Hermitian Operators
Discusses eigenfunctions of Hermitian operators in quantum chemistry and the quantization of energy levels.