On the calculation of second order properties: An equation of motion approach |
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Authors: | M Gupta S Bhattacharyya |
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Institution: | (1) Department of Pure Chemistry, University College of Science, 92 Acharya Prafulla Chandra Road, 700 009 Calcutta, India |
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Abstract: | In the light of the equation of motion method a general expression for polarisability calculation has been derived. From this
general expression, different approximation methods can be deduced for different choices of ground state and excitation manifold.
Among these the coupled Hartree-Fock theory is the most extensively used one for polarisability calculations. It has also
been shown that this theory has a simple relationship with random phase approximation. |
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Keywords: | Second order properties equation of motion polarisability Hartree-Fock theory random phase approximation |
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