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Localized electronic excitation in a hydrogen bond
Author(s) -
Lozes Richard L.,
Sabin John R.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560220727
Subject(s) - excited state , atomic physics , excitation , ion , hydrogen , chemistry , hydrogen bond , energy transfer , dissociative , physics , molecule , quantum mechanics , medicine , organic chemistry , pharmacology
Energy transfer via electronically excited states of a hydrogen‐bonded network has been proposed as a model for energy transfer in biological systems. To examine this possibility on a simple hydrogen‐bonded system, modest configuration interaction ( CI ) calculations are carried out on the bifluoride ion. The first few low lying excited states are examined, and all appear to be dissociative and/or autoionizing.