An assessment of the random-phase approximation functional and characteristics analysis for noncovalent cation–π interactions

2017 ◽  
Vol 19 (38) ◽  
pp. 26014-26021 ◽  
Author(s):  
He Su ◽  
Qiyang Wu ◽  
Hongyan Wang ◽  
Hui Wang
Keyword(s):  
Binding Energy ◽  
Random Phase Approximation ◽  
Noncovalent Interactions ◽  
Random Phase ◽  
Molecular Clusters ◽  
Phase Approximation ◽  
Π Interactions ◽  
Characteristics Analysis ◽  
High Level

The structure, binding energy, AIM, and RDG properties of noncovalent cation–π interactions are investigated systematically. We demonstrate that the random-phase approximation (RPA) functional can give an inexpensive description of noncovalent interactions in molecular clusters without sacrificing the accuracy compared to the high-level CCSD(T) method.

Interpretation of Preferential Adsorption Using Random Phase Approximation Theory

1995 ◽  
Vol 60 (10) ◽  
pp. 1641-1652 ◽  
Author(s):  
Henri C. Benoît ◽  
Claude Strazielle
Keyword(s):  
Approximation Theory ◽  
Random Phase Approximation ◽  
Virial Coefficient ◽  
Random Phase ◽  
Second Virial Coefficient ◽  
Solvent Mixture ◽  
Gyration Radius ◽  
Thermodynamic Quantities ◽  
Phase Approximation ◽  
Preferential Adsorption

It has been shown that in light scattering experiments with polymers replacement of a solvent by a solvent mixture causes problems due to preferential adsorption of one of the solvents. The present paper extends this theory to be applicable to any angle of observation and any concentration by using the random phase approximation theory proposed by de Gennes. The corresponding formulas provide expressions for molecular weight, gyration radius, and the second virial coefficient, which enables measurements of these quantities provided enough information on molecular and thermodynamic quantities is available.

Neutrino reactions onC12by the quasiparticle random-phase approximation (QRPA)

2010 ◽  
Vol 81 (2) ◽  
Author(s):  
Myung-Ki Cheoun ◽  
Eunja Ha ◽  
Su Youn Lee ◽  
K. S. Kim ◽  
W. Y. So ◽  
...  
Keyword(s):  
Random Phase Approximation ◽  
Random Phase ◽  
Phase Approximation ◽  
Quasiparticle Random Phase Approximation
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