Chapter 7. Towards the accurate simulation of UV/Vis spectra in solution: combining the EOM-CCSD method with polarizable solvation models within state-specific and linear-response formalisms

2014 ◽  
pp. 197-214 ◽  
Author(s):  
Marco Caricato
Author(s):  
Keinosuke Kobayashi

Equidensitometry as developed by E. Lau and W. Krug has been little used in the analysis of ordinary electron photomicrographs, yet its application to the high voltage electron images proves merits of this procedure. Proper sets (families) of equidensities as shown in the next page are able to reveal the contour map of mass thickness distribution in thick noncrystalline specimens. The change in density of the electron micrograph is directly related to the mass thickness of corresponding area in the specimen, because of the linear response of photographic emulsions to electrons and the logarithmic relation between electron opacity and mass thickness of amorphous object.This linearity is verified by equidensitometry of a spherical solid object as shown in Fig. 1a. The object is a large (1 μ) homogeneous particle of polystyrene. Fig. 1b is a composite print of three equidensities of the 1st order prepared from Fig. 1a.


2016 ◽  
Vol 545 ◽  
pp. 109-121 ◽  
Author(s):  
B Villazán ◽  
FG Brun ◽  
V González‑Ortiz ◽  
F Moreno‑Marín ◽  
TJ Bouma ◽  
...  

2020 ◽  
Vol 2020 (7) ◽  
pp. 143-1-143-6 ◽  
Author(s):  
Yasuyuki Fujihara ◽  
Maasa Murata ◽  
Shota Nakayama ◽  
Rihito Kuroda ◽  
Shigetoshi Sugawa

This paper presents a prototype linear response single exposure CMOS image sensor with two-stage lateral overflow integration trench capacitors (LOFITreCs) exhibiting over 120dB dynamic range with 11.4Me- full well capacity (FWC) and maximum signal-to-noise ratio (SNR) of 70dB. The measured SNR at all switching points were over 35dB thanks to the proposed two-stage LOFITreCs.


Author(s):  
Daniel Lambrecht ◽  
Eric Berquist

We present a first principles approach for decomposing molecular linear response properties into orthogonal (additive) plus non-orthogonal/cooperative contributions. This approach enables one to 1) identify the contributions of molecular building blocks like functional groups or monomer units to a given response property and 2) quantify cooperativity between these contributions. In analogy to the self consistent field method for molecular interactions, SCF(MI), we term our approach LR(MI). The theory, implementation and pilot data are described in detail in the manuscript and supporting information.


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