TY - JOUR
T1 - Vibrationally resolved O 1s photoelectron spectrum of water
AU - Sankari, R.
AU - Ehara, M.
AU - Nakatsuji, H.
AU - Senba, Y.
AU - Hosokawa, K.
AU - Yoshida, H.
AU - De Fanis, A.
AU - Tamenori, Y.
AU - Aksela, S.
AU - Ueda, K.
N1 - Funding Information:
The experiment was carried out with the approval of the SPring-8 program advisory committee. The work was supported in part by Grants-in-Aid for Scientific Research from the Japanese Society for the Promotion of Science (JSPS) and by the Grant for Creative Scientific Research from the Ministry of Education, Science, Culture and Sports of Japan. Prof. M.N. Piancastelli is acknowledged for helpful discussion and assistance. M.E. thanks Dr. H.-D. Meyer for kindly distributing the latest version of the M ctdh program. R.S. and S.A. acknowledge the financial support from the Research Council for Natural Sciences and Engineering of the Academy of Finland.
PY - 2003/10/28
Y1 - 2003/10/28
N2 - The O 1s photoelectron spectrum of water was recorded with the resolution high enough to resolve the vibrational structure of the O 1s-1 state and the lifetime width and the Franck-Condon (FC) factors were extracted. The experimental spectrum was reproduced well by the molecular ab initio calculations based on the symmetry adapted cluster-configuration interaction (SAC-CI) method. The vibrational structure was attributed mostly to the bending mode of the core-ionized molecule.
AB - The O 1s photoelectron spectrum of water was recorded with the resolution high enough to resolve the vibrational structure of the O 1s-1 state and the lifetime width and the Franck-Condon (FC) factors were extracted. The experimental spectrum was reproduced well by the molecular ab initio calculations based on the symmetry adapted cluster-configuration interaction (SAC-CI) method. The vibrational structure was attributed mostly to the bending mode of the core-ionized molecule.
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U2 - 10.1016/j.cplett.2003.08.108
DO - 10.1016/j.cplett.2003.08.108
M3 - Article
AN - SCOPUS:0142155167
SN - 0009-2614
VL - 380
SP - 647
EP - 653
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 5-6
ER -