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Cover Image, Volume 114, Issue 2
Publication year - 2013
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.24588
Subject(s) - cover (algebra) , excited state , dipole , excitation , coupling (piping) , citation , physics , computer science , atomic physics , quantum mechanics , world wide web , materials science , engineering , mechanical engineering , metallurgy
When a molecule is electronically excited, it may pass its excitation energy to a nearby molecule. The electronic coupling is an important parameter in the excitation energy transfer rate. It is now possible to calculate the coupling strength with recently developed computational methods. Zhi‐Qiang You and Chao‐Ping Hsu on page 102 show that, at a large distance, the coupling is fundamentally a Förster dipole–dipole coupling (as shown in the lower right corner of the cover); and at a short distance, a short‐range coupling arises from orbital overlaps. Exchange interaction is noted.