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Investigation of the LCAO Approximation for Diatomic Molecules in Molecular Orbital Theory. Near Hartree-Fock Calculation of the CH molecule in LCAO Approximation

А. В. Митин

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Key concepts: Linear combination of atomic orbitals, Diatomic molecule, Hartree–Fock method, Chemistry, Molecule, Molecular orbital, Atomic physics, Quantum mechanics

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Investigation of the LCAO Approximation for Diatomic Molecules in Molecular Orbital Theory. Near Hartree-Fock Calculation of the CH molecule in LCAO Approximation — Research Paper | ScholarLens