Electronic structure of spherical quantum dots using coupled cluster method

被引:13
|
作者
Heidari, Ideh [1 ]
Pal, Sourav
Pujari, B. S.
Kanhere, D. G.
机构
[1] Natl Chem Lab, Div Phys Chem, Theoret Chem Grp, Pune 411008, Maharashtra, India
[2] Univ Poona, Dept Phys, Pune 411007, Maharashtra, India
[3] Univ Poona, Ctr Modeling & Simulat, Pune 411007, Maharashtra, India
来源
JOURNAL OF CHEMICAL PHYSICS | 2007年 / 127卷 / 11期
关键词
D O I
10.1063/1.2768523
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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 r(s)) and at the low density region (high value of density parameter r(s)). (c) 2007 American Institute of Physics.
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页数:6
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