Self-Consistent-Field Tight-Binding Treatment of Polymers. I. Infinite Three-Dimensional Case

The microphase separation of amphiphilic dendrimer copolymers in a selective solvent with different excluded volume effects (αS) is investigated using three-dimensional real space self-consistent field theory.

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A Sparse Self-Consistent Field Algorithm and Its Parallel Implementation: Application to Density-Functional-Based Tight Binding

Journal of Chemical Theory and Computation ◽

10.1021/ct500115v ◽

2014 ◽

Vol 10 (6) ◽

pp. 2344-2354 ◽

Cited By ~ 10

Author(s):

Anthony Scemama ◽

Nicolas Renon ◽

Mathias Rapacioli

Keyword(s):

Density Functional ◽

Parallel Implementation ◽

Tight Binding ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Self-consistent field theory of tethered polymers: One dimensional, three dimensional, strong stretching theories and the effects of excluded-volume-only interactions

The Journal of Chemical Physics ◽

10.1063/1.4901925 ◽

2014 ◽

Vol 141 (20) ◽

pp. 204903 ◽

Cited By ~ 3

Author(s):

Tongchuan Suo ◽

Mark D. Whitmore

Keyword(s):

Field Theory ◽

Three Dimensional ◽

Excluded Volume ◽

One Dimensional ◽

Consistent Field ◽

Tethered Polymers ◽

Self Consistent ◽

Self Consistent Field ◽

Self Consistent Field Theory

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A versatile method for obtaining structures of rapidly rotating stars. II - Three-dimensional self-consistent field method

The Astrophysical Journal Supplement Series ◽

10.1086/191148 ◽

1986 ◽

Vol 62 ◽

pp. 461 ◽

Cited By ~ 68

Author(s):

Izumi Hachisu

Keyword(s):

Three Dimensional ◽

Field Method ◽

Rotating Stars ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Rapidly Rotating Stars

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Three-Dimensional Reference Interaction Site Model Self-Consistent Field Study on the Coordination Structure and Excitation Spectra of Cu(II)–Water Complexes in Aqueous Solution

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b01364 ◽

2019 ◽

Vol 123 (15) ◽

pp. 3344-3354 ◽

Cited By ~ 1

Author(s):

Chen Yang ◽

Yoshihiro Watanabe ◽

Norio Yoshida ◽

Haruyuki Nakano

Keyword(s):

Aqueous Solution ◽

Field Study ◽

Three Dimensional ◽

Coordination Structure ◽

Excitation Spectra ◽

Interaction Site ◽

Site Model ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Three‐dimensional quantum wave packet study of the Ar–HCl photodissociation: A comparison between time‐dependent self‐consistent‐field and exact treatments

The Journal of Chemical Physics ◽

10.1063/1.470230 ◽

1995 ◽

Vol 103 (9) ◽

pp. 3463-3473 ◽

Cited By ~ 30

Author(s):

A. García‐Vela ◽

R. B. Gerber

Keyword(s):

Wave Packet ◽

Three Dimensional ◽

Time Dependent ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Quantum Wave

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Self-consistent field tight-binding model for neutral and (multi-) charged carbon clusters

The Journal of Chemical Physics ◽

10.1063/1.2759210 ◽

2007 ◽

Vol 127 (8) ◽

pp. 084111 ◽

Cited By ~ 10

Author(s):

Laurent Montagnon ◽

Fernand Spiegelman

Keyword(s):

Tight Binding ◽

Carbon Clusters ◽

Tight Binding Model ◽

Binding Model ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Exploring thermodynamic stability of the stalk fusion-intermediate with three-dimensional self-consistent field theory calculations

Soft Matter ◽

10.1039/c3sm00098b ◽

2013 ◽

Vol 9 (15) ◽

pp. 4097 ◽

Cited By ~ 9

Author(s):

Kostas Ch. Daoulas ◽

Marcus Müller

Keyword(s):

Field Theory ◽

Thermodynamic Stability ◽

Three Dimensional ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Self Consistent Field Theory

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