Certificate Computational Quantum Chemistry Fundamentals
-- ViewingNowThe Certificate in Computational Quantum Chemistry Fundamentals is a comprehensive course designed to equip learners with essential skills in the field of quantum chemistry. This course emphasizes the importance of computational methods in understanding complex chemical systems, making it highly relevant in today's technology-driven world.
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⢠Introduction to Quantum Chemistry: Fundamental concepts, wave functions, and the SchrÜdinger equation
⢠Quantum Mechanics: Particle in a box, harmonic oscillator, and hydrogen atom models
⢠Linear Algebra and Matrix Mechanics: Vector spaces, eigenvalues, and eigenvectors
⢠Hartree-Fock Method: Self-consistent field theory, Fock operator, and Slater determinants
⢠Electronic Structure Methods: Configuration interaction, Møller-Plesset perturbation theory, and coupled-cluster theory
⢠Density Functional Theory: Kohn-Sham equations, exchange-correlation functionals, and Thomas-Fermi model
⢠Quantum Chemistry Computational Tools: Gaussian, Psi4, and PySCF overviews
⢠Molecular Properties: Electronic energies, dipole moments, and vibrational frequencies
⢠Quantum Chemistry Applications: Spectroscopy, catalysis, and drug design
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