Generating SALCs Using Projection Operators Part B: Sigma- and Pi-SALCs Under C3v Symmetry

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  • เผยแพร่เมื่อ 3 ต.ค. 2024
  • This is the second video of a two part video series on generating symmetry adapted linear combinations of atomic orbitals (SALCs) to form so-called ligand group orbitals (LGOs). In this video the sigma-type SALCs from H(1s) AOs of ammonia will be generated. It will be demonstrated how to project out wave functions from linear combinations of AOs as the basis function. Furthermore, it will also be shown how to project out SALCs from p-orbitals.
    Part A can be found at: • Generating SALCs Using...

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