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Structural and optical properties of the endohedral complex Li@C60
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نویسنده
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Kouhi A. ,Yaghobi M.
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منبع
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journal of theoretical and applied physics - 2009 - دوره : 3 - شماره : 2 - صفحه:37 -41
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چکیده
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The lithium atom effect on the optical and structural properties of the li@c60 molecule are investigated using ppp(pariser-parr-pople) and ssh (su-schrieffer-heeger) models. in addition the movement of lithium atom effect onmentioned properties of li@c60 is calculated using the hf-ci-sos (sum-over-state) and ssh methods. our calculationsindicated that the na atom effect on the (first) polarizability and the bonds length of c60 is dramatic. thisstudy proposes such a novel way to synthesize and design new nlo materials by using the alkali atom
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کلیدواژه
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Endohedral ,Fullerene ,C60 ,C70 ,Polarizability
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آدرس
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islamic azad university, Plasma Physic research center, ایران. Nuclear Science &Technology Research Institute, Plasma Physics &Nuclear Fusion Research School, ایران, islamic azad university, Plasma Physic research center, ایران
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پست الکترونیکی
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akouhi@aeoi.org.ir
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Authors
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