Journal ArticleDOI
A theoretical investigation of elastic scattering of H atom by C 60 and Kr@C 60
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This article is published in Journal of Physics B.The article was published on 2019-02-14. It has received 8 citations till now. The article focuses on the topics: Elastic scattering & Endohedral fullerene.read more
Citations
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Interaction potentials for Br(2p) + Ar, Kr, Xe (1s) by the crossed molecular beams method. Interim report
TL;DR: In this paper, the authors derived the interaction potentials for the X(1/2) and I(3/2 ) states by using an approximate elastic scattering analysis, which neglects interstate coupling.
Journal ArticleDOI
Shannon entropy and Fisher information for endohedral confined one- and two-electron atoms
TL;DR: In this paper, the authors studied the Shannon entropy and Fisher information of the H, He, Li+, and Be2+ atoms confined by a C60 cavity and found that the C60 endohedral cavity modifies the ground-and excited-states of the hydrogen atom where the largest effect is given for the 2s state leading to an increase of ∼ 2.5 % of Shannon entropy.
Journal ArticleDOI
Ab initio calculation of electrostatic potentials for C 60 and C 80
TL;DR: In this paper, an ab initio calculation of electrostatic potentials of C60 and C80 has been performed at the B3LYP/6-31G(d) level.
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Effect of charge transfer on elastic scattering of electron from Ar@C60: Dirac partial wave calculation
Km Akanksha Dubey,J. Jose +1 more
TL;DR: In this article, the effect of charge transfer from encaged Ar to C60 shell on e-Ar@C60 scattering was studied using the Dirac partial wave methodology, where the endohedral environment was approximated as an atom trapped in an attractive spherically symmetric potential employing two model potentials: (A) hard annular square well (ASW) and (B) diffused Gaussian annular squares well (GASW).
References
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Journal ArticleDOI
Self-Consistent Equations Including Exchange and Correlation Effects
Walter Kohn,L. J. Sham +1 more
TL;DR: In this paper, the Hartree and Hartree-Fock equations are applied to a uniform electron gas, where the exchange and correlation portions of the chemical potential of the gas are used as additional effective potentials.
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C 60 : Buckminsterfullerene
Harold W. Kroto,Harold W. Kroto,James R. Heath,Sean C. O'Brien,Robert F. Curl,Richard E. Smalley +5 more
TL;DR: In this article, the authors proposed a truncated icosahedron, a polygon with 60 vertices and 32 faces, 12 of which are pentagonal and 20 hexagonal.
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Effects of Configuration Interaction on Intensities and Phase Shifts
TL;DR: In this paper, a theoretical analysis of the shape of the 2s2p^{1}P resonance of He observed in the inelastic scattering of electrons is presented. But the analysis is restricted to the case of one discrete level with two or more continua and of a set of discrete levels with one continuum.
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Lower Limit for the Energy Derivative of the Scattering Phase Shift
TL;DR: In this paper, it was shown that the derivative of the scattering phase shift with respect to energy, dn/dE, must exceed a certain limit if the interaction of scattered particle and scatterer vanishes beyond a certain distance.
Journal ArticleDOI
Atomic Scattering in the Presence of an External Confinement and a Gas of Impenetrable Bosons
Maxim Olshanii,Maxim Olshanii +1 more
TL;DR: In this article, a one-dimensional scattering amplitude and effective 1D interaction potential for atoms confined transversally by an atom waveguide or highly elongated ''cigar''-shaped atomic trap was calculated.
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K. T. Tang,M. Karplus +1 more