Lecture

Basis Sets II

Related lectures (32)

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

Explores the Hartree-Fock method, basis sets, Slater determinants, and quantum chemistry concepts like spin contamination and Hund's rule.

Explores the solution of the Schrödinger equation for many-electron systems using basis sets and the concept of basis functions.

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

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

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

Explores Basis Set Superposition Error in quantum chemistry calculations and the Counter-Poise correction to estimate it.

Covers basis set errors, Hartree-Fock methods, electron correlation, configuration interaction, and composite approaches in computational chemistry.

Delves into using machine learning to predict spinless on-top pair density and understand electron correlation in complex systems.

Explores bases in vector spaces, including linear combinations, orthogonal bases, and basis transformations using rotation matrices.

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

Covers tensor products, symmetric power, and exterior power of vector spaces, including properties and applications.

Discusses eigenfunctions of Hermitian operators in quantum chemistry and the quantization of energy levels.

Covers the basics of linear mapping and coordinate systems.

Discusses molecular orbitals in π-conjugated systems, focusing on their properties and electronic interactions.

Covers classical testing of qubits, including measuring in different bases and obtaining uniform results.

Explores orthogonal and orthonormal bases, Gram-Schmidt process, and orthogonal polynomials in physics.

Explores the vibration of diatomic AB molecules and Fourier series, emphasizing equations of motion and Dirichlet's theorem.

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

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