Density functional theory investigation of the phonon instability, thermal equation of state and melting curve of Mo

Zhao-Yi Zeng; Cui-E Hu; Xiang-Rong Chen; Xiu-Lu Zhang; Ling-Cang Cai; Fu-Qian Jing

doi:10.1039/c0cp01206h

Density functional theory investigation of the phonon instability, thermal equation of state and melting curve of Mo

Physical Chemistry Chemical Physics ◽

10.1039/c0cp01206h ◽

2011 ◽

Vol 13 (4) ◽

pp. 1669-1675 ◽

Cited By ~ 15

Author(s):

Zhao-Yi Zeng ◽

Cui-E Hu ◽

Xiang-Rong Chen ◽

Xiu-Lu Zhang ◽

Ling-Cang Cai ◽

...

Keyword(s):

Density Functional Theory ◽

Equation Of State ◽

Density Functional ◽

Melting Curve ◽

Thermal Equation ◽

Functional Theory ◽

Thermal Equation Of State

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High-Pressure Adsorption of Supercritical Gases on Activated Carbons: An Improved Approach Based on the Density Functional Theory and the Bender Equation of State

Langmuir ◽

10.1021/la030119w ◽

2003 ◽

Vol 19 (20) ◽

pp. 8349-8357 ◽

Cited By ~ 27

Author(s):

E. A. Ustinov ◽

D. D. Do

Keyword(s):

Density Functional Theory ◽

High Pressure ◽

Equation Of State ◽

Density Functional ◽

Activated Carbons ◽

Functional Theory ◽

The Density Functional Theory ◽

High Pressure Adsorption

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Wide range equation of state for fluid hydrogen from density functional theory

Physics of Plasmas ◽

10.1063/1.4821839 ◽

2013 ◽

Vol 20 (9) ◽

pp. 092703 ◽

Cited By ~ 22

Author(s):

Cong Wang ◽

Ping Zhang

Keyword(s):

Density Functional Theory ◽

Equation Of State ◽

Density Functional ◽

Functional Theory ◽

Wide Range ◽

Range Equation

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A simple scaling law for the equation of state and the radial distribution functions calculated by density-functional theory molecular dynamics

Physics of Plasmas ◽

10.1063/1.5026045 ◽

2018 ◽

Vol 25 (6) ◽

pp. 060702 ◽

Cited By ~ 2

Author(s):

J.-F. Danel ◽

L. Kazandjian

Keyword(s):

Molecular Dynamics ◽

Density Functional Theory ◽

Equation Of State ◽

Radial Distribution ◽

Density Functional ◽

Scaling Law ◽

Distribution Functions ◽

Radial Distribution Functions ◽

Functional Theory ◽

Simple Scaling

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Density functional theory for the description of spherical non-associating monomers in confined media using the SAFT-VR equation of state and weighted density approximations

The Journal of Chemical Physics ◽

10.1063/1.4869996 ◽

2014 ◽

Vol 140 (13) ◽

pp. 134707 ◽

Cited By ~ 21

Author(s):

Carine Malheiro ◽

Bruno Mendiboure ◽

Frédéric Plantier ◽

Felipe J. Blas ◽

Christelle Miqueu

Keyword(s):

Density Functional Theory ◽

Equation Of State ◽

Density Functional ◽

Functional Theory ◽

Weighted Density ◽

Confined Media

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Self-consistent density functional theory and the equation of state for simple fluids

Molecular Physics ◽

10.1080/002689798167502 ◽

1998 ◽

Vol 94 (6) ◽

pp. 929-935 ◽

Cited By ~ 25

Author(s):

YAAKOV ROSENFELD

Keyword(s):

Density Functional Theory ◽

Equation Of State ◽

Density Functional ◽

Functional Theory ◽

Simple Fluids ◽

Self Consistent

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Prediction of Contact Angles and Density Profiles of Sessile Droplets Using Classical Density Functional Theory Based on the PCP-SAFT Equation of State

Langmuir ◽

10.1021/acs.langmuir.8b01985 ◽

2018 ◽

Vol 34 (42) ◽

pp. 12519-12531 ◽

Cited By ~ 9

Author(s):

Elmar Sauer ◽

Alexandros Terzis ◽

Marc Theiss ◽

Bernhard Weigand ◽

Joachim Gross

Keyword(s):

Density Functional Theory ◽

Equation Of State ◽

Density Functional ◽

Contact Angles ◽

Density Profiles ◽

Functional Theory

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A density functional theory for vapor-liquid interfaces using the PCP-SAFT equation of state

The Journal of Chemical Physics ◽

10.1063/1.3263124 ◽

2009 ◽

Vol 131 (20) ◽

pp. 204705 ◽

Cited By ~ 75

Author(s):

Joachim Gross

Keyword(s):

Density Functional Theory ◽

Equation Of State ◽

Density Functional ◽

Liquid Interfaces ◽

Functional Theory ◽

Vapor Liquid

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Assessing Density-Functional Theory for Equation-Of-State

Computation ◽

10.3390/computation6010013 ◽

2018 ◽

Vol 6 (1) ◽

pp. 13 ◽

Cited By ~ 6

Author(s):

◽

Keyword(s):

Density Functional Theory ◽

Equation Of State ◽

Density Functional ◽

Functional Theory

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Unified equation of state for neutron stars and supernova cores using the nuclear energy-density functional theory

Journal of Physics Conference Series ◽

10.1088/1742-6596/342/1/012003 ◽

2012 ◽

Vol 342 ◽

pp. 012003 ◽

Cited By ~ 7

Author(s):

A F Fantina ◽

N Chamel ◽

J M Pearson ◽

S Goriely

Keyword(s):

Density Functional Theory ◽

Equation Of State ◽

Energy Density ◽

Neutron Stars ◽

Density Functional ◽

Nuclear Energy ◽

Energy Density Functional ◽

Functional Theory

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Interfacial tension of nonassociating pure substances and binary mixtures by density functional theory combined with Peng–Robinson equation of state

The Journal of Chemical Physics ◽

10.1063/1.3100237 ◽

2009 ◽

Vol 130 (15) ◽

pp. 154108 ◽

Cited By ~ 30

Author(s):

Zhidong Li ◽

Abbas Firoozabadi

Keyword(s):

Density Functional Theory ◽

Equation Of State ◽

Interfacial Tension ◽

Binary Mixtures ◽

Density Functional ◽

Functional Theory ◽

Pure Substances ◽

Robinson Equation

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