Computational Chemistry: Basics and Applications

Related lectures (32)

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

Covers the basics of quantum chemistry and the Hartree-Fock method.

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

Covers written exam details and electronic structure methods for computational chemistry.

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

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

Explores the quantization of energy levels, wave-particle duality, and uncertainty principle in advanced general chemistry.

Explores eigenfunctions and operators in quantum chemistry, emphasizing their significance in understanding bound states.

Covers the fundamentals of quantum chemistry, including Coulomb and exchange integrals, atomic and molecular orbitals.

Covers the systematic approximation of energy corrections in quantum chemistry.