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New developments in the theory of photoemission

✍ Scribed by M. Graβ; J. Braun; G. Borstel

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
735 KB
Volume
46
Category
Article
ISSN
0079-6816

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The recent development of density functional theory (DFT) makes it possible to calculate accurately metalloporphyrin structures and potential surfaces. This is illustrated for nickel porphine, the vibrations of which are reliably assigned from extensive spectroscopic studies. With a minimal set of s