TY - JOUR
T1 - Electronic energy gap correlation function and spectral density of anharmonic molecules at low temperatures I
T2 - Theory
AU - Toutounji, Mohamad
N1 - Publisher Copyright:
©2014 Elsevier B.V. All rights reserved.
PY - 2015/1/2
Y1 - 2015/1/2
N2 - A closed-form expression for the electronic energy gap correlation function of anharmonic molecules weighed by their coupling strengths to the electronic transition is derived. These undamped anharmonic vibrations may be viewed as only linearly coupled phonons. The spectral density derived herein may be viewed as a spectrum of Franck-Condon factors for the phonons coupled linearly to the electronic transition in the low temperature limit. A formula for Morse oscillator reorganizational energy is derived. An approximate form for anharmonic energy gap correlation function is also provided, from which the spectral density of intramolecular vibrations is derived.
AB - A closed-form expression for the electronic energy gap correlation function of anharmonic molecules weighed by their coupling strengths to the electronic transition is derived. These undamped anharmonic vibrations may be viewed as only linearly coupled phonons. The spectral density derived herein may be viewed as a spectrum of Franck-Condon factors for the phonons coupled linearly to the electronic transition in the low temperature limit. A formula for Morse oscillator reorganizational energy is derived. An approximate form for anharmonic energy gap correlation function is also provided, from which the spectral density of intramolecular vibrations is derived.
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U2 - 10.1016/j.cplett.2014.10.053
DO - 10.1016/j.cplett.2014.10.053
M3 - Article
AN - SCOPUS:84909994428
SN - 0009-2614
VL - 618
SP - 37
EP - 41
JO - Chemical Physics Letters
JF - Chemical Physics Letters
ER -