Lectures related to Electronic Structure Methods

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.

Electron Correlation: Theory and Methods

Explores electron correlation, exchange-correlation holes, and post-Hartree-Fock methods for accurate electronic structure calculations.

Computational Chemistry: Basics and Applications

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

Hartree-Fock Method: Theory and Applications

Explores the Hartree-Fock method in quantum chemistry, emphasizing the variational principle and self-consistent solutions.

Editing Input Files in vi: Hartree-Fock Method and XYZ Format

Covers the Hartree-Fock method, Gaussian.com usage, XYZ format, and Open Babel.

Coupled Cluster Theory: Size Consistency

Explores the Coupled Cluster theory, discussing Size Extensivity, Size Consistency, and post-Hartree-Fock methods.

Hartree-Fock Method: Basis Set Superposition Error and CP Correction

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

Size Extensivity & Coupled Cluster Theory

Explores size extensivity, coupled cluster theory, exponential form advantages, and energy principles in quantum chemistry.

Moller-Plesset Perturbation Theory: Energy Corrections and Wavefunction Expansion

Delves into Moller-Plesset Perturbation Theory, discussing energy corrections and wavefunction expansion in quantum chemistry.

Quantum Chemistry: Molecular Orbital Theory

Covers the fundamentals of quantum chemistry, focusing on molecular orbital theory and conservation of orbital equivalence.

Quantum Chemistry

Covers topics related to Quantum Chemistry, including bond orders and molecular structures.