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Technical Report CMS-TR-20070919


Title Electronic structure of spherical quantum dots using coupled cluster method
Author/s Ideh Heidari
Theoretical Chemistry Group, National Chemical Laboratory, Pune 411008, India


Sourav Pal
Physical Chemistry Division, National Chemical Laboratory, Pune 411008, India


B. S. Pujari
Center of Modeling and Simulation,Savitribai Phule Pune University, Pune 411007, India


D. G. Kanhere
Department of Physics, Savitribai Phule Pune University, Pune 411007, India.
Abstract 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).
Keywords
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Citing This Document Ideh Heidari, Sourav Pal, B. S. Pujari, and D. G. Kanhere , Electronic structure of spherical quantum dots using coupled cluster method . Technical Report CMS-TR-20070919 of the Centre for Modeling and Simulation, Savitribai Phule Pune University, Pune 411007, India (2007); available at http://cms.unipune.ac.in/reports/.
Notes, Published Reference, Etc. Published in AIP Publishing LLC.
Contact bspujari AT cms.unipune.ac.in
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