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A basis set investigation for the oxygen 1s ionization potential in H2O

✍ Scribed by H. Ågren; S. Svensson; U. I. Wahlgren

Book ID
104579004
Publisher
John Wiley and Sons
Year
1977
Tongue
English
Weight
407 KB
Volume
11
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

The basis set dependency of the core ionization potential of water was investigated for atomic optimized Cartesian Gaussian basis sets. Basis set parameters optimized for oxygen yielded better IP's than basis set parameters optimized for fluorine. Not much was gained by using different parameters for the ground state and for the 1__s__ hole state.

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✍ Masaharu Tsuji; John P. Maier; Hiroshi Obase; Yukio Nishimura 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 393 KB

Penning ionization of He(2%) +HrO and DzO has been studied by observing the A\*A,-a \*B, emission system of HrO+ and DzO+ in a low-pressure flowing afterglow. The vibrational distributions of HrO+ (A) and DrO+(& were consistent with those predicted from Franck-Condon-type vertical excitation. A stro