% IMPORTANT: The following is UTF-8 encoded. This means that in the presence
% of non-ASCII characters, it will not work with BibTeX 0.99 or older.
% Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or
% “biber”.
@ARTICLE{Antol:29175,
author = {Antol, I. and Eckert-Maksic, M. and Müller, T. and Dallos,
M. and Lischka, H.},
title = {{V}alence and {R}ydberg states of protonated formaldehyde},
journal = {Chemical physics letters},
volume = {374},
issn = {0009-2614},
address = {Amsterdam [u.a.]},
publisher = {Elsevier},
reportid = {PreJuSER-29175},
pages = {587 - 593},
year = {2003},
note = {Record converted from VDB: 12.11.2012},
abstract = {MR-CISD and MR-CISD + Q calculations have been performed
for the vertical excitations of protonated formaldehyde in
comparison to formaldehyde. Singlet and triplet states have
been investigated. It is shown that the protonation causes
the Rydberg states to be shifted to higher energies by
several eV. This finding is discussed by means of the
Rydberg formula in terms of quantum defects for the two
lowest vertical ionization energies. For protonated
formaldehyde the pi-pi(*) valence state is energetically the
second lowest state at 9.80 eV, about 1.50 eV below the
first Rydberg n-3s state. This finding is in strong contrast
to the case of formaldehyde where the pi-pi(*) state is
embedded within a series of Rydberg states. (C) 2003
Elsevier Science B.V. All rights reserved.},
keywords = {J (WoSType)},
cin = {ZAM},
ddc = {540},
cid = {I:(DE-Juel1)VDB62},
pnm = {Betrieb und Weiterentwicklung des Höchstleistungsrechners},
pid = {G:(DE-Juel1)FUEK254},
shelfmark = {Chemistry, Physical / Physics, Atomic, Molecular $\&$
Chemical},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000183945900028},
doi = {10.1016/0009-2614(03)00770-X},
url = {https://juser.fz-juelich.de/record/29175},
}