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26491797 457454 Physical Chemistry Quantum Chemistry[1]

26491797 457454 Physical Chemistry Quantum Chemistry[1]

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Published by: rajasebastian on May 21, 2011
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02/12/2013

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A diatomic molecule with n electrons requires that 3n+6 coordinates be specified.

Three of these describe the center of mass position.

3n of these describe the position of the n electrons.

This leaves three degrees of freedom (R,θ,φ) which describe the position of the
nuclei relative to the center of mass. R determines the internuclear separation
and θ and φ determine the orientation.

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