Towards accurate orbital-free simulations: A generalized gradient approximation for the noninteracting free energy density functional

Physical Review B ◽

10.1103/physrevb.101.075116 ◽

2020 ◽

Vol 101 (7) ◽

Author(s):

K. Luo ◽

V. V. Karasiev ◽

S. B. Trickey

Keyword(s):

Free Energy ◽

Energy Density ◽

Density Functional ◽

Free Energy Density ◽

Generalized Gradient ◽

Energy Density Functional ◽

Generalized Gradient Approximation ◽

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A density functional theory based on the universality of the free energy density functional

The Journal of Chemical Physics ◽

10.1063/1.481407 ◽

2000 ◽

Vol 112 (18) ◽

pp. 8079-8082 ◽

Author(s):

Shiqi Zhou ◽

Eli Ruckenstein

Keyword(s):

Density Functional Theory ◽

Free Energy ◽

Energy Density ◽

Density Functional ◽

Free Energy Density ◽

Energy Density Functional ◽

Functional Theory

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Density functional theory for nonuniform polymer melts: Based on the universality of the free energy density functional

The European Physical Journal E ◽

10.1007/s101890070005 ◽

2000 ◽

Vol 3 (4) ◽

pp. 343-353 ◽

Author(s):

Shiqi Zhou

Keyword(s):

Density Functional Theory ◽

Free Energy ◽

Energy Density ◽

Density Functional ◽

Polymer Melts ◽

Free Energy Density ◽

Energy Density Functional ◽

Functional Theory

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Modification of free-energy density functional theory approach for prediction of high-pressure mixture adsorption

Science Bulletin ◽

10.1007/s11434-007-0527-z ◽

2008 ◽

Vol 53 (9) ◽

pp. 1358-1364 ◽

Author(s):

ShuYan Liu ◽

XiaoNing Yang ◽

Zhen Yang

Keyword(s):

Density Functional Theory ◽

High Pressure ◽

Free Energy ◽

Energy Density ◽

Density Functional ◽

Free Energy Density ◽

Theory Approach ◽

Energy Density Functional ◽

Functional Theory ◽

Mixture Adsorption

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Non-local free-energy density-functional theory applied to the electrical double layer

Molecular Physics ◽

10.1080/00268979000101851 ◽

1990 ◽

Vol 71 (2) ◽

pp. 369-392 ◽

Author(s):

Zixiang Tang ◽

L. Mier-y-Teran ◽

H.T. Davis ◽

L.E. Scriven ◽

H.S. White

Keyword(s):

Density Functional Theory ◽

Free Energy ◽

Energy Density ◽

Double Layer ◽

Electrical Double Layer ◽

Density Functional ◽

Free Energy Density ◽

Energy Density Functional ◽

Functional Theory ◽

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Free-Energy Density Functional of Ions at a Dielectric Interface

The Journal of Physical Chemistry Letters ◽

10.1021/jz2001908 ◽

2011 ◽

Vol 2 (10) ◽

pp. 1178-1182 ◽

Author(s):

Dirk Gillespie

Keyword(s):

Free Energy ◽

Energy Density ◽

Density Functional ◽

Free Energy Density ◽

Energy Density Functional ◽

Dielectric Interface

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A simple generalized gradient approximation for the noninteracting kinetic energy density functional

Physical Review B ◽

10.1103/physrevb.98.041111 ◽

2018 ◽

Vol 98 (4) ◽

Author(s):

Kai Luo ◽

Valentin V. Karasiev ◽

S. B. Trickey

Keyword(s):

Energy Density ◽

Kinetic Energy ◽

Density Functional ◽

Kinetic Energy Density ◽

Generalized Gradient ◽

Energy Density Functional ◽

Generalized Gradient Approximation ◽

Kinetic Energy Density Functional

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Free-energy density functional for the inhomogeneous hard-sphere fluid: Application to interfacial adsorption

Physical Review A ◽

10.1103/physreva.42.3382 ◽

1990 ◽

Vol 42 (6) ◽

pp. 3382-3387 ◽

Author(s):

E. Kierlik ◽

M. L. Rosinberg

Keyword(s):

Free Energy ◽

Energy Density ◽

Hard Sphere ◽

Density Functional ◽

Free Energy Density ◽

Energy Density Functional ◽

Hard Sphere Fluid ◽

Interfacial Adsorption

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Relationship between free energy density functional, Born–Green–Yvon, and potential distribution approaches for inhomogeneous fluids

The Journal of Chemical Physics ◽

10.1063/1.454114 ◽

1988 ◽

Vol 88 (3) ◽

pp. 1909-1913 ◽

Author(s):

Johann Fischer ◽

Uwe Heinbuch

Keyword(s):

Free Energy ◽

Energy Density ◽

Potential Distribution ◽

Density Functional ◽

Free Energy Density ◽

Energy Density Functional ◽

Inhomogeneous Fluids

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Simulation of the decomposition of binary alloys on the basis of the free energy density functional method

Physics of the Solid State ◽

10.1134/s1063783417020160 ◽

2017 ◽

Vol 59 (2) ◽

pp. 355-361 ◽

Author(s):

P. E. L’vov ◽

V. V. Svetukhin

Keyword(s):

Free Energy ◽

Energy Density ◽

Density Functional ◽

Binary Alloys ◽

Density Functional Method ◽

Free Energy Density ◽

Functional Method ◽

Energy Density Functional

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Application of a Coulomb energy density functional for atomic nuclei: Case studies of local density approximation and generalized gradient approximation

Physical Review C ◽

10.1103/physrevc.97.044319 ◽

2018 ◽

Vol 97 (4) ◽

Author(s):

Tomoya Naito ◽

Ryosuke Akashi ◽

Haozhao Liang

Keyword(s):

Energy Density ◽

Local Density Approximation ◽

Density Functional ◽

Local Density ◽

Coulomb Energy ◽

Density Approximation ◽

Generalized Gradient ◽

Energy Density Functional ◽

Generalized Gradient Approximation ◽

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