Comparison of the Importance Sampling Single Chain Mean Field Theory with Monte Carlo Simulation and Self-Consistent Field Calculations for Polymer Adsorption onto a Flat Wall

2004 ◽  
Vol 37 (3) ◽  
pp. 1143-1151 ◽  
Author(s):  
Josep Bonet Avalos ◽  
Allan D. Mackie ◽  
Silvia Díez-Orrite
Keyword(s):  
Field Theory ◽  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Importance Sampling ◽  
Mean Field Theory ◽  
Mean Field ◽  
Single Chain ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

Single chain in mean field simulation of flexible and semiflexible polymers: comparison with discrete chain self-consistent field theory

Soft Matter ◽  
2020 ◽  
Vol 16 (22) ◽  
pp. 5233-5249
Author(s):  
So Jung Park ◽  
Jaeup U. Kim
Keyword(s):  
Field Theory ◽  
Energy Analysis ◽  
Mean Field ◽  
Single Chain ◽  
Field Simulation ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Self Consistent Field Theory ◽  
Free Energy Analysis

Through quantitative free energy analysis, we demonstrate that discrete chain self-consistent field theory (DCSCFT) can serve as an intermediate tool positioned between single chain in mean field simulation and SCFT.

scholarly journals Remarks on the mean-field theory based on the SO(2N + 1) Lie algebra of the fermion operators

2019 ◽  
Vol 16 (12) ◽  
pp. 1950184
Author(s):  
Seiya Nishiyama ◽  
João da Providência
Keyword(s):  
Field Theory ◽  
Density Matrix ◽  
Lie Algebra ◽  
Mean Field Theory ◽  
Mean Field ◽  
Algebraic Theory ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
The Mean

Toward a unified algebraic theory for mean-field Hamiltonian describing paired- and unpaired-mode effects, in this paper, we propose a generalized Hartree–Bogoliubov mean-field Hamiltonian in terms of fermion pair and creation-annihilation operators of the [Formula: see text] Lie algebra. We diagonalize the generalized Hartree–Bogoliubov mean-field Hamiltonian and throughout its diagonalization we can first obtain the unpaired mode amplitudes which are given by the self-consistent field parameters appeared in the Hartree–Bogoliubov theory together with the additional self-consistent field parameter in the generalized Hartree–Bogoliubov mean-field Hamiltonian and by the parameter specifying the property of the [Formula: see text] group. Consequently, it turns out that the magnitudes of these amplitudes are governed by such parameters. Thus, it becomes possible to make clear a new aspect of such results. We construct the Killing potential in the coset space [Formula: see text] on the Kähler symmetric space which is equivalent to the generalized density matrix. We show another approach to the fermion mean-field Hamiltonian based on such a generalized density matrix. We derive an [Formula: see text] generalized Hartree–Bogoliubov mean-field Hamiltonian operator and a modified Hartree–Bogoliubov eigenvalue equation. We discuss on the mean-field theory related to the algebraic mean-field theory based on the generalized density matrix and the coadjoint orbit leading to the nondegenerate symplectic form.

Development of an Importance Sampling Single Chain Mean Field Theory for Polymer Adsorption onto a Flat Wall

2004 ◽  
Vol 37 (3) ◽  
pp. 1124-1133 ◽  
Author(s):  
Josep Bonet Avalos ◽  
Allan D. Mackie ◽  
Silvia Díez-Orrite
Keyword(s):  
Field Theory ◽  
Importance Sampling ◽  
Mean Field Theory ◽  
Mean Field ◽  
Polymer Adsorption ◽  
Single Chain ◽  
Flat Wall
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