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Calculations of microporosity and mesoporosity by the chi theory method

โœ Scribed by James B. Condon

Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
267 KB
Volume
55
Category
Article
ISSN
1387-1811

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Calculations of core-electron binding en
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โœ Delano P. Chong; Tsutomu Minato; Prasanta K. Mukherjee ๐Ÿ“‚ Article ๐Ÿ“… 1983 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 546 KB

## Abstract Vertical ionization potentials for core orbitals of HF, H~2~O, and CO are calculated with the __ab initio__ transition operator method. The results are improved by thirdโ€order Rayleighโ€“Schrรถdinger perturbation theory. The effect of basis sets is also investigated. The computed coreโ€elec