2014
DOI: 10.1103/physrevb.90.245405
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Emending thermal dispersion interactions of Li, Na, K, and Rb alkali-metal atoms with graphene in the Dirac model

Abstract: Using accurate dynamic polarizabilities of Li, Na, K and, Rb atoms, we scrutinize the thermal Casimir-Polder interactions of these atoms with a single layered graphene. Considering the modified Lifshitz theory for material interactions, we reanalyze the dispersion coefficients (C3s) of the above atoms with graphene as functions of separation distance, gap parameter and temperature among which some of them were earlier studied by estimating dynamic polarizabilities of the above atoms from the single oscillator … Show more

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Cited by 56 publications
(66 citation statements)
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“…2 ζ+diffuse+polarization basis set, 6-311+G(3df) [39]. The calculated ab-initio points are given in Tables I and II. The long-range (R > 30 Bohr) part of the interaction potentials was constructed using the polarizabilities and dispersion coefficients calculated by Kaur et al [57], and connected smoothly to the ab initio points. Specifically, for the A 1 Σ + state, where the dispersion coefficients are known, the long-range form used was…”
Section: A Electronic Structure Calculationmentioning
confidence: 99%
“…2 ζ+diffuse+polarization basis set, 6-311+G(3df) [39]. The calculated ab-initio points are given in Tables I and II. The long-range (R > 30 Bohr) part of the interaction potentials was constructed using the polarizabilities and dispersion coefficients calculated by Kaur et al [57], and connected smoothly to the ab initio points. Specifically, for the A 1 Σ + state, where the dispersion coefficients are known, the long-range form used was…”
Section: A Electronic Structure Calculationmentioning
confidence: 99%
“…The differences of the present RCICP calculations and other available results [20,22,34,36,37] are not more than 0.6%. The dynamic dipole polarizabilities computed with the usual oscillator strength sum-rules can be written as…”
Section: B Dipole Matrix Elementsmentioning
confidence: 55%
“…The DFCP method is the same as the present RCICP method except that DFCP uses the Bspline basis. The RCICP dipole polarizability is larger than that calculated by the nonrelativistic configuration interaction plus core polarization(CICP) [34], RCCSD of Lim et al [35], and the RMBPT all-order method [39], but smaller than the RCCSD result of Kaur et al [36,37], the earlier MBPT-SD result [38], and the experimental values [40,41]. If the experimental electric dipole matrix elements of the 5s − 5p J transitions [9] are used in the calculation of polarizabilities, the static dipole polarizability of the 5s state is 318.743 a.u., which agrees with the experimental result [41] very well.…”
Section: B Dipole Matrix Elementsmentioning
confidence: 80%
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“…Using the wave operator formalism, one can express these wave functions accounting the above mentioned correlations individually as [31,32] …”
Section: Methods Of Evaluation For Polarizabilitymentioning
confidence: 99%