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Handout 8 Linear Combination of Atomic Orbitals (LCAO)

Linear Combination of Atomic Orbitals (LCAO) Now consider a Hydrogen molecule made up of two covalently bonded Hydrogen atoms sitting at a distance of 2d from each other, as shown: Hamiltonian for an electron is: V r dx V r dx m H ˆ ˆ 2 ˆ 2 2 The basic idea behind LCAO approach is to construct a trial variational solution in

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  Linear, Combination, Atomic, Orbitals, Cola, Linear combination of atomic orbitals

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Transcription of Handout 8 Linear Combination of Atomic Orbitals (LCAO)

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