scholarly journals Absorption-line-shape recovery beyond the detection-bandwidth limit: Application to the precision spectroscopic measurement of the Boltzmann constant

2014 ◽  
Vol 90 (4) ◽  
Author(s):  
F. Rohart ◽  
S. Mejri ◽  
P. L. T. Sow ◽  
S. K. Tokunaga ◽  
C. Chardonnet ◽  
...  
Keyword(s):  
Absorption Line ◽  
Line Shape ◽  
Shape Recovery ◽  
Spectroscopic Measurement ◽  
Boltzmann Constant ◽  
Absorption Line Shape

scholarly journals The modeling of the absorption lineshape for embedded molecules through a polarizable QM/MM approach

2018 ◽  
Vol 17 (5) ◽  
pp. 552-560 ◽  
Author(s):  
Daniele Loco ◽  
Sandro Jurinovich ◽  
Lorenzo Cupellini ◽  
Maximilian F. S. J. Menger ◽  
Benedetta Mennucci
Keyword(s):  
Absorption Line ◽  
Line Shape ◽  
Inhomogeneous Broadening ◽  
Complex Matrices ◽  
Absorption Line Shape

We present a polarizable QM/MM strategy to simulate the absorption line shape of chromophores embedded in complex matrices, including both homogeneous and inhomogeneous broadening.

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