Size Extensivity and Consistency in Quantum Chemistry

About
Privacy
Disclaimer

Graph Chatbot

Related lectures (32)

Page 2 of 4

Quantum Chemical Electronic Structure Methods

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

Quantum Chemistry Fundamentals

Introduces the fundamentals of quantum chemistry, including Hartree-Fock wavefunctions and density functional theory.

Quantum Chemistry: Postulates and Harmonic Oscillator

Explores the historical perspective and postulates of quantum mechanics, focusing on the harmonic oscillator and approximation methods.

Quantum Chemistry: Energy Corrections

Covers the systematic approximation of energy corrections in quantum chemistry.

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

Covers various topics in quantum chemistry, including color, draw tools, shapes, and mathematical equations.

Hartree-Fock Methods: Types and Performance

Explores different types of HF methods, their performance, electron correlation, and post-HF methods.

Theoretical Foundations of DFT

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

Hartree-Fock: Approximation & Wavefunction

Explains the Hartree-Fock approximation method and the process of minimizing the energy expression to find the wavefunction.