DOI: 10.1016/S0301-0104(00)00176-2

Title: Analysis of the bound odd-parity spectrum of krypton by weakest bound electron potential model theory

Journal Title: Chemical Physics

Volume: 258

Issue: 1

Publication Date: 1 August 2000

Start Page: 37

End Page: 46

Published online: online 27 July 2000

ISSN: 0301-0104

Affiliations: Department of Chemistry, USTC, Hefei, Anhui 230026, People's Republic of China

Abstract: he weakest **bound** electron potential model theory, the J=0,1,2,3,4,5 odd **bound** levels of neutral krypton are classified by spectrum-level-like series. In our previous work, we employed Martin's formula to calculate the quantum defects for the unperturbed spectrum-level-like series and obtained excellent results. For the perturbed series, however, extra- or interpolation using Martin's formula may lead to serious error. We, therefore, propose a quantum defect formula to fit the perturbed series by combining Martin’s formula with Langer's. The regularity of spectrum-level-like series is investigated with the revised Martin formula. Great agreement with experimental values is obtained, and the deviations between the calculated values and experimental ones are less than 1 cm−1. Meanwhile, some unknown level positions are predicted.

Received: 30 November 1999

Keywords: Weakest bound electron potential model theory; Atomic levels; Krypton; Least-square fitting

Corresponding information:

Email: tzhou@mail.ustc.edu.cn

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