Electronic structure of spherical quantum dots using coupled cluster method

Heidari, Ideh; Pal, Sourav; Pujari, B. S.; Kanhere, D. G.
September 2007
Journal of Chemical Physics;9/21/2007, Vol. 127 Issue 11, p114708
Academic Journal
2, 6, 12, and 20 electron quantum dots have been studied using coupled cluster at singles and doubles level and extensive multireference coupled cluster (MRCC) method. A Fock-space version of MRCC (FSMRCC) containing single hole-particle excited determinants has been used to calculate low-lying excited states of the above system. The ionization potential and electron affinity are also calculated. The effect of correlation energy on excitation energy and charge density is shown by calculating them at the high density region (low value of density parameter rs) and at the low density region (high value of density parameter rs).


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