A comparison of integral equations and density functional theory versus Monte Carlo for hard dumbbells near a hard wall

Douglas Henderson; Jacqueline Quintana; Stefan Sokol/owski

doi:10.1063/1.469549

A comparison of integral equations and density functional theory versus Monte Carlo for hard dumbbells near a hard wall

The Journal of Chemical Physics ◽

10.1063/1.469549 ◽

1995 ◽

Vol 102 (12) ◽

pp. 4991-4995 ◽

Cited By ~ 9

Author(s):

Douglas Henderson ◽

Jacqueline Quintana ◽

Stefan Sokol/owski

Keyword(s):

Density Functional Theory ◽

Monte Carlo ◽

Integral Equations ◽

Density Functional ◽

Hard Wall ◽

Functional Theory ◽

Theory Versus

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Interfacial properties of linear molecules modelled by dimer near a hard wall. A Monte Carlo and a density functional theory investigation

Molecular Physics ◽

10.1080/00268976.2014.968648 ◽

2014 ◽

Vol 113 (9-10) ◽

pp. 997-1002

Author(s):

Stanisław Lamperski ◽

Monika Kaja ◽

Douglas Henderson

Keyword(s):

Density Functional Theory ◽

Monte Carlo ◽

Density Functional ◽

Interfacial Properties ◽

Hard Wall ◽

Functional Theory ◽

Linear Molecules

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Density functional theory versus quantum Monte Carlo simulations of Fermi gases in the optical-lattice arena

The European Physical Journal B ◽

10.1140/epjb/e2018-90021-1 ◽

2018 ◽

Vol 91 (4) ◽

Cited By ~ 1

Author(s):

Sebastiano Pilati ◽

Ilia Zintchenko ◽

Matthias Troyer ◽

Francesco Ancilotto

Keyword(s):

Density Functional Theory ◽

Monte Carlo ◽

Monte Carlo Simulations ◽

Quantum Monte Carlo ◽

Optical Lattice ◽

Density Functional ◽

Fermi Gases ◽

Functional Theory ◽

Theory Versus ◽

Quantum Monte Carlo Simulations

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Associating fluids with four bonding sites against a hard wall: density functional theory

Molecular Physics ◽

10.1080/00268979709482661 ◽

1997 ◽

Vol 90 (5) ◽

pp. 759-771 ◽

Cited By ~ 16

Author(s):

CHAD SEGURA ◽

WALTER CHAPMAN ◽

KESHAWA SHUKLA

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Hard Wall ◽

Associating Fluids ◽

Functional Theory

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Investigations on some coumarin based corrosion inhibitors for mild steel in aqueous acidic medium: Electrochemical, surface morphological, density functional theory and Monte Carlo simulation approach

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.115531 ◽

2021 ◽

Vol 329 ◽

pp. 115531

Author(s):

Dakeshwar Kumar Verma ◽

Savaş Kaya ◽

Elhachmia Ech-chihbi ◽

Fadoua El-Hajjaji ◽

Mayur Mausoom Phukan ◽

...

Keyword(s):

Density Functional Theory ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Mild Steel ◽

Acidic Medium ◽

Density Functional ◽

Corrosion Inhibitors ◽

Simulation Approach ◽

Functional Theory ◽

Aqueous Acidic Medium

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Structure and capacitance of an electric double layer of an asymmetric valency dimer electrolyte: A comparison of the density functional theory with Monte Carlo simulations

Journal of Molecular Liquids ◽

10.1016/j.molliq.2016.08.051 ◽

2017 ◽

Vol 228 ◽

pp. 236-242 ◽

Cited By ~ 9

Author(s):

Douglas Henderson ◽

Whasington Silvestre-Alcantara ◽

Monika Kaja ◽

Stanisław Lamperski ◽

Jianzhong Wu ◽

...

Keyword(s):

Density Functional Theory ◽

Monte Carlo ◽

Monte Carlo Simulations ◽

Double Layer ◽

Electric Double Layer ◽

Density Functional ◽

Functional Theory ◽

The Density Functional Theory

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Density functional theory and Monte Carlo study of electronic, magnetic and magnetocaloric properties of iron cobalt nitrides

Journal of Crystal Growth ◽

10.1016/j.jcrysgro.2021.126497 ◽

2021 ◽

pp. 126497

Author(s):

M. Bessimou ◽

R. Masrour ◽

A. Jabar ◽

G. Kadim ◽

E.K. Hlil

Keyword(s):

Density Functional Theory ◽

Monte Carlo ◽

Density Functional ◽

Monte Carlo Study ◽

Functional Theory ◽

Iron Cobalt ◽

Magnetocaloric Properties

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Microstructure of Flow-Driven Suspension of Hardspheres in Cylindrical Confinement: A Dynamical Density Functional Theory and Monte Carlo Study

Langmuir ◽

10.1021/acs.langmuir.7b01860 ◽

2017 ◽

Vol 33 (42) ◽

pp. 11332-11344 ◽

Cited By ~ 8

Author(s):

Hsiu-Yu Yu ◽

Zahera Jabeen ◽

David M. Eckmann ◽

Portonovo S. Ayyaswamy ◽

Ravi Radhakrishnan

Keyword(s):

Density Functional Theory ◽

Monte Carlo ◽

Density Functional ◽

Monte Carlo Study ◽

Functional Theory

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A Monte Carlo density functional theory for the competition between inter and intramolecular association in inhomogeneous fluids

The Journal of Chemical Physics ◽

10.1063/1.4807587 ◽

2013 ◽

Vol 138 (20) ◽

pp. 204908 ◽

Cited By ~ 3

Author(s):

Bennett D. Marshall ◽

Alejandro J. García-Cuéllar ◽

Walter G. Chapman

Keyword(s):

Density Functional Theory ◽

Monte Carlo ◽

Density Functional ◽

Functional Theory ◽

Inhomogeneous Fluids ◽

Intramolecular Association

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Spectral shift of sodium in a liquid-helium environment: A sequential Monte Carlo time-dependent density-functional-theory study

Physical Review A ◽

10.1103/physreva.72.062714 ◽

2005 ◽

Vol 72 (6) ◽

Cited By ~ 16

Author(s):

Valdemir Ludwig ◽

Prasanta K. Mukherjee ◽

Kaline Coutinho ◽

Sylvio Canuto

Keyword(s):

Density Functional Theory ◽

Monte Carlo ◽

Liquid Helium ◽

Density Functional ◽

Sequential Monte Carlo ◽

Spectral Shift ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Enhanced nucleation of Al islands on H-dosed Si(100)-2×1 surface: A combined density functional theory and kinetic Monte Carlo study

Surface Science ◽

10.1016/j.susc.2013.07.003 ◽

2013 ◽

Vol 617 ◽

pp. 73-80 ◽

Cited By ~ 4

Author(s):

Marvin A. Albao ◽

Darwin B. Putungan ◽

Chia-Hsiu Hsu ◽

Feng-Chuan Chuang

Keyword(s):

Density Functional Theory ◽

Monte Carlo ◽

Density Functional ◽

Kinetic Monte Carlo ◽

Monte Carlo Study ◽

Functional Theory

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