ISSN:
1434-6079
Schlagwort(e):
34.10
;
34.20
;
33.20.K
Quelle:
Springer Online Journal Archives 1860-2000
Thema:
Physik
Notizen:
Abstract In this paper the Na2 X 1 Σ g + and (1)1Π g electronic states long range tail functional behavior is analysed in the light of multipolar expansion theory combined with damping functions. The experimental data used here is the one reported by Barrow et al. [1]. In the present paper this experimental data is used in a nonlinear reduction to van der WaalsC n constants using the multipolar expansion Σ n C n /r n . Since the internuclear distance reached by the biggest part of the data is still out of the Le Roy's region (where the internuclear distance must be greater thanr lim: $$r_{\lim } = 2\left( {\left\langle {r_A^2 } \right\rangle ^{{1 \mathord{\left/ {\vphantom {1 2}} \right. \kern-\nulldelimiterspace} 2}} + \left\langle {r_B^2 } \right\rangle ^{{1 \mathord{\left/ {\vphantom {1 2}} \right. \kern-\nulldelimiterspace} 2}} } \right),$$ being the outermost electron orbital radii for the 〈r A 〉 and 〈r B 〉 two atoms), the exchange energy must be taken into account. Due to the fact that the 1/r n expansion diverges whenr→0, the damping functions has been included in order to prevent this. The obtained values for theC n coefficients, as well as the exchange energy constants, show a good agreement with the theoretical available data, for both electronic states.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1007/BF01437276
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