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

Computer modeling of polymer stars in variable solvent conditions: a comparison of MD simulations, self-consistent field (SCF) modeling and novel hybrid Monte Carlo SCF approach

Soft Matter ◽  
2021 ◽  
Author(s):  
Alexander D. Kazakov ◽  
Varvara M. Prokacheva ◽  
Filip Uhlík ◽  
Peter Košovan ◽  
Frans A. M. Leermakers
Keyword(s):  
Monte Carlo ◽  
Hybrid Method ◽  
Mean Field ◽  
Md Simulations ◽  
Coarse Grained ◽  
Hybrid Monte Carlo ◽  
Mean Field Models ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

We present a hybrid method based on a combination of coarse-grained and mean-field models for simulation of polymer solutions.

Monte Carlo-Self Consistent Field Study of the Symmetrical Models of Polyelectrolytes

1992 ◽  
Vol 9 (4) ◽  
pp. 285-306 ◽  
Author(s):  
P. N. Vorontsov-velyaminov ◽  
A. P. Lyubartsev
Keyword(s):  
Monte Carlo ◽  
Field Study ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

scholarly journals Coil-globule transition for regular, random, and specially designed copolymers: Monte Carlo simulation and self-consistent field theory

2002 ◽  
Vol 65 (4) ◽  
Author(s):  
J. M. P. van den Oever ◽  
F. A. M. Leermakers ◽  
G. J. Fleer ◽  
V. A. Ivanov ◽  
N. P. Shusharina ◽  
...  
Keyword(s):  
Field Theory ◽  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Self Consistent Field Theory

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.

Solution of the self-consistent field model for polymer adsorption by genetic algorithms

1996 ◽  
Vol 51 (7) ◽  
pp. 1071-1078 ◽  
Author(s):  
Vijaykumar Hanagandi ◽  
Harry Ploehn ◽  
Michael Nikolaou
Keyword(s):  
Genetic Algorithms ◽  
Field Model ◽  
Polymer Adsorption ◽  
The Self ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field
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