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The lowest energy unnormalized wave function of H molecule is (ri and r2 the distances between the electron and nuclei 1 and

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Answer #1

Option 1. is the right answer. Because in 1. the wavefunction is symmetric (changing the position of r1 and r2 doesn't change \psi) and symmetric configuration has less energy than antisymmetric (where changing the position of r1 and r2 gives -\psi ). The reason is that the symmetric configuration is stable and leads to bonding while antisymmetric is unstable. Symmetric wavefunction maximizes the electric probability density between two protons and hence reducing the electrostatic repulsion among them.   

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