The core‐hole excitation spectrum of benzene: A symmetry‐adapted CNDO/S equivalent‐core study including ‘‘spin‐symmetry breaking’’ configurations

1982 ◽  
Vol 77 (11) ◽  
pp. 5552-5561 ◽  
Author(s):  
Richard W. Bigelow ◽  
Hans‐Joachim Freund
2002 ◽  
Vol 09 (01) ◽  
pp. 89-92 ◽  
Author(s):  
KAZUMASA OKADA ◽  
YUSUKE TAMENORI ◽  
INOSUKE KOYANO ◽  
KIYOSHI UEDA

Angle-resolved ion yield spectroscopy revealed that ionic fragmentation of a Td symmetry molecule SiF 4 is anisotropic after F 1s photoexcitation. The anisotropic fragmentation is interpreted as being due to preferential bond rupture at the F 1s core-hole site. The probability of the bond rupture at the core-hole site is three times as large as those at other sites. The origin of the preferential bond rupture is discussed in terms of symmetry breaking due to dynamical core-hole localization.


Nano Letters ◽  
2009 ◽  
Vol 9 (8) ◽  
pp. 3016-3019 ◽  
Author(s):  
Yuri Gorodetski ◽  
Nir Shitrit ◽  
Itay Bretner ◽  
Vladimir Kleiner ◽  
Erez Hasman

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