Molecular Orbital Wave Function of H2 and H2 ion

Molecular Orbital Wave Function for H₂ and H₂ ion

Molecular Orbital Wave Function of H₂Molecule

Hydrogen molecule has two electrons and two nuclei A and B. So-

Molecular Orbital Wave Function of H₂ ion

Hydrogen molecule ion has one electron and two nuclei A and B. So-
Hence bonding and antibonding molecular orbital wave functions can be written as-

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Principle of Linear Combination

Conditions for LCAO

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