Lectures related to Basis Sets I

Hartree-Fock: Roothan Equations

Covers the Hartree-Fock Roothaan Equations and different types of Hartree-Fock methods, discussing their performance.

Configuration Interaction II: Correlation Energy and CSF's

Explores the calculation of correlation energy and CSF's in electronic structure calculations.

Basis Sets II: Types and Accuracy

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

Configuration Interaction II: Slater-Condon Rules

Covers the Slater-Condon rules for configuration interaction and determinants.

Basis Sets: Types and Functional Forms

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

Theoretical Foundations of DFT

Explores the Hohenberg-Kohn Theorems, electron density distributions, and the variational principle in DFT.

Hartree-Fock Equations: HeH+ Implementation

Covers the implementation of Hartree-Fock equations for HeH+ molecule, including theory, terms, orbitals, and self-consistent field calculation.

Basis Sets II

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

Molecular Vibrations & Normal Modes

Explores molecular vibrations, normal modes, IR & Raman activity, and symmetry analysis.

Molecular Orbital Theory

Covers the concept of eigenfunctions of H as bases for irreducible representations and integrals.

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.

Metal Hydride Complex Symmetry

Explores the symmetry analysis of a deuterated metal hydride complex and its molecular orbitals.

Molecular Structure: Intramolecular Electron Delocalization

Discusses molecular structure and intramolecular electron delocalization, focusing on quantum mechanics and the transition from atomic to molecular orbitals.

Chemical Bonding: Orbitals and Resonance

Covers the fundamentals of chemical bonding, focusing on orbitals and resonance in organic chemistry.

Quantum Chemical Electronic Structure Methods

Explores quantum chemical electronic structure methods, including basis sets and the Hartree-Fock method.

Quantum Chemistry: Molecular Orbital Theory

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

Representation Theory: Algebras and Homomorphisms

Covers the goals and motivations of representation theory, focusing on associative algebras and homomorphisms.

Moller-Plesset Perturbation Theory: Energy Corrections and Wavefunction Expansion

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

Covalent Bonding: Orbital Stability

Explores covalent bonding stability and orbital properties in molecules like H₂ and He.

Electronic Structure: Hamiltonian and Orbitals

Covers the electronic structure in quantum physics, focusing on the Hamiltonian operator and the concept of orbitals.