scholarly journals Self-consistent field model for strong electrostatic correlations and inhomogeneous dielectric media

2014 ◽  
Vol 141 (24) ◽  
pp. 244903 ◽  
Author(s):  
Manman Ma ◽  
Zhenli Xu
Keyword(s):  
Field Model ◽  
Dielectric Media ◽  
Consistent Field ◽  
Inhomogeneous Dielectric ◽  
Self Consistent ◽  
Self Consistent Field

scholarly journals A Hybrid Monte Carlo Self-Consistent Field Model of Physical Gels of Telechelic Polymers

2018 ◽  
Vol 14 (12) ◽  
pp. 6532-6543 ◽  
Author(s):  
J. Bergsma ◽  
F. A. M. Leermakers ◽  
J. M. Kleijn ◽  
J. van der Gucht
Keyword(s):  
Monte Carlo ◽  
Field Model ◽  
Telechelic Polymers ◽  
Hybrid Monte Carlo ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

Electronic Structure Underlying Colour Differences Between Diarylmethane Dyes and their Azomethine Analogues

2012 ◽  
Vol 65 (5) ◽  
pp. 520 ◽  
Author(s):  
Seth Olsen
Keyword(s):  
Perturbation Theory ◽  
Electronic Structure ◽  
Field Model ◽  
The State ◽  
Orbital State ◽  
Complete Active Space ◽  
Active Space ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

We show that multireference perturbation theory based on a four-electron, three-orbital state-averaged complete active space self-consistent field model can reproduce the shift in colour between diarylmethane dyes and their corresponding azomethine analogues. We relate the azomethine shift to changes in the electronic structure, through an examination of the relative changes in the state-averaged one-electron Hamiltonian (Fock) and surprisal matrices that characterise the analogous self-consistent field solutions.

Entanglement Network of the Polypropylene/Polyamide Interface. 1. Self-Consistent Field Model

2000 ◽  
Vol 33 (4) ◽  
pp. 1385-1396 ◽  
Author(s):  
Andreas F. Terzis ◽  
Doros N. Theodorou ◽  
Alexander Stroeks
Keyword(s):  
Field Model ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Entanglement Network

Analytical Self-Consistent-Field Model of Weak Polyacid Brushes

1995 ◽  
Vol 28 (10) ◽  
pp. 3562-3569 ◽  
Author(s):  
Yu. V. Lyatskaya ◽  
F. A. M. Leermakers ◽  
G. J. Fleer ◽  
E. B. Zhulina ◽  
T. M. Birshtein
Keyword(s):  
Field Model ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field
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