A density-functional calculation of dynamic dipole polarizabilities of noble gas atoms |
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| Authors: | S K Ghosh B M Deb |
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| Institution: | (1) Heavy Water Division, Bhabha Atomic Research Centre, 400 085 Bombay, India;(2) Department of Chemistry and Group of Theoretical Studies, Indian Institute of Technology, 400 076 Bombay, India |
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| Abstract: | Using a very simple trial function and unperturbed electron densities calculated by a new procedure, the frequency-dependent dipole polarizability  ( ) of Ne, Ar, Kr and Xe has been calculated in the range 0  0.45 a.u., by a Karplus-Kolker-type variation-perturbation method. Results progressively worsen for larger systems so that, for Xe, (0) is only 75% of the experimental value. Probable reasons for this are discussed. |
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| Keywords: | Density-functional theory Dynamic polarizability Noble gas atoms Variation-perturbation method Direct density calculation |
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