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Computational chemistry
Related lectures (32)
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Hartree-Fock Equations: HeH+ Implementation
Covers the implementation of Hartree-Fock equations for HeH+ molecule, including theory, terms, orbitals, and self-consistent field calculation.
Understanding Electron Density
Explores electron density in chemistry, from atomic models to machine learning applications and implications for molecular properties and drug design.
Electronic Structure: Hamiltonian and Orbitals
Covers the electronic structure in quantum physics, focusing on the Hamiltonian operator and the concept of orbitals.
Quantum Chemistry: Molecular Orbital Theory
Covers the fundamentals of quantum chemistry, focusing on molecular orbital theory and conservation of orbital equivalence.
Atomic Structure: Real Atom
Explores the real atom, electron distribution rules, molecular and band structure computation methods, and the Born-Oppenheimer approximation.
Quantum Chemistry Fundamentals
Covers the fundamentals of quantum chemistry, including valence bond theory and molecular orbitals.
Quantum Chemistry Fundamentals
Introduces the fundamentals of quantum chemistry, including Hartree-Fock wavefunctions and density functional theory.
Quantum Chemistry Fundamentals
Covers the basics of quantum chemistry and the Hartree-Fock method.
Molecular Structure: Intramolecular Electron Delocalization
Discusses molecular structure and intramolecular electron delocalization, focusing on quantum mechanics and the transition from atomic to molecular orbitals.
Quantum Chemistry: Fundamentals and Applications
Covers the fundamentals of quantum chemistry, including Coulomb and exchange integrals, atomic and molecular orbitals.
