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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โข Introduction to Quantum Chemistry: Fundamental concepts, wave functions, and the Schrรถdinger equation
โข Quantum Mechanics: Particle in a box, harmonic oscillator, and hydrogen atom models
โข Linear Algebra and Matrix Mechanics: Vector spaces, eigenvalues, and eigenvectors
โข Hartree-Fock Method: Self-consistent field theory, Fock operator, and Slater determinants
โข Electronic Structure Methods: Configuration interaction, Mรธller-Plesset perturbation theory, and coupled-cluster theory
โข Density Functional Theory: Kohn-Sham equations, exchange-correlation functionals, and Thomas-Fermi model
โข Quantum Chemistry Computational Tools: Gaussian, Psi4, and PySCF overviews
โข Molecular Properties: Electronic energies, dipole moments, and vibrational frequencies
โข Quantum Chemistry Applications: Spectroscopy, catalysis, and drug design
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