Solvation in atomic liquids: connection between Gaussian field theory and density functional theory

Sergiievskyi;  Levesque;  Rotenberg;  Borgis

doi:10.5488/cmp.20.33005

Solvation in atomic liquids: connection between Gaussian field theory and density functional theory

Condensed Matter Physics ◽

10.5488/cmp.20.33005 ◽

2017 ◽

Vol 20 (3) ◽

pp. 33005

Author(s):

Sergiievskyi ◽

Levesque ◽

Rotenberg ◽

Borgis

Keyword(s):

Field Theory ◽

Density Functional Theory ◽

Density Functional ◽

Gaussian Field ◽

Functional Theory ◽

Atomic Liquids

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Self-Consistent Field Theory and Density Functional Theory for Self-Organization in Polymeric Systems

Journal of the Physical Society of Japan ◽

10.1143/jpsj.78.041009 ◽

2009 ◽

Vol 78 (4) ◽

pp. 041009 ◽

Cited By ~ 4

Author(s):

Takashi Taniguchi

Keyword(s):

Field Theory ◽

Density Functional Theory ◽

Density Functional ◽

Self Organization ◽

Functional Theory ◽

Polymeric Systems ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Self Consistent Field Theory

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An Average-of-Configuration Method for Using Kohn—Sham Density Functional Theory in Modeling Ligand-Field Theory.

ChemInform ◽

10.1002/chin.200340004 ◽

2003 ◽

Vol 34 (40) ◽

Author(s):

Christian Anthon ◽

Jesper Bendix ◽

Claus E. Schaeffer

Keyword(s):

Field Theory ◽

Density Functional Theory ◽

Density Functional ◽

Ligand Field ◽

Functional Theory ◽

Ligand Field Theory

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Time-Dependent Density-Functional Theory Meets Dynamical Mean-Field Theory: Real-Time Dynamics for the 3D Hubbard Model

Physical Review Letters ◽

10.1103/physrevlett.106.116401 ◽

2011 ◽

Vol 106 (11) ◽

Cited By ~ 42

Author(s):

Daniel Karlsson ◽

Antonio Privitera ◽

Claudio Verdozzi

Keyword(s):

Field Theory ◽

Density Functional Theory ◽

Density Functional ◽

Mean Field Theory ◽

Mean Field ◽

Time Dependent ◽

Dynamical Mean Field Theory ◽

Functional Theory ◽

Time Dynamics ◽

Dependent Density

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Can Multiconfigurational Self-Consistent Field Theory and Density Functional Theory Correctly Predict the Ground State of Metal–Metal-Bonded Complexes?

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.5b00412 ◽

2015 ◽

Vol 11 (9) ◽

pp. 4093-4101 ◽

Cited By ~ 12

Author(s):

Rebecca K. Carlson ◽

Samuel O. Odoh ◽

Stephen J. Tereniak ◽

Connie C. Lu ◽

Laura Gagliardi

Keyword(s):

Field Theory ◽

Density Functional Theory ◽

Ground State ◽

Density Functional ◽

Functional Theory ◽

Consistent Field ◽

Metal Metal ◽

Self Consistent ◽

Self Consistent Field ◽

Self Consistent Field Theory

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Fock-Matrix Corrections in Density Functional Theory and Use in Embedded Mean-Field Theory

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.6b00685 ◽

2016 ◽

Vol 12 (12) ◽

pp. 5811-5822 ◽

Cited By ~ 12

Author(s):

Kaito Miyamoto ◽

Thomas F. Miller ◽

Frederick R. Manby

Keyword(s):

Field Theory ◽

Density Functional Theory ◽

Density Functional ◽

Mean Field Theory ◽

Mean Field ◽

Functional Theory

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ONETEP + TOSCAM: Uniting Dynamical Mean Field Theory and Linear-Scaling Density Functional Theory

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.0c00162 ◽

2020 ◽

Vol 16 (8) ◽

pp. 4899-4911

Author(s):

Edward B. Linscott ◽

Daniel J. Cole ◽

Nicholas D. M. Hine ◽

Michael C. Payne ◽

Cédric Weber

Keyword(s):

Field Theory ◽

Density Functional Theory ◽

Density Functional ◽

Mean Field Theory ◽

Mean Field ◽

Dynamical Mean Field Theory ◽

Linear Scaling ◽

Functional Theory

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Elucidation of Ligand-Field Theory. Reformulation and Revival by Density Functional Theory

Structure and Bonding - Optical Spectra and Chemical Bonding in Transition Metal Complexes ◽

10.1007/b96904 ◽

2004 ◽

pp. 207-301 ◽

Cited By ~ 6

Author(s):

Christian Anthon ◽

Jesper Bendix ◽

Claus E. Schäffer

Keyword(s):

Field Theory ◽

Density Functional Theory ◽

Density Functional ◽

Ligand Field ◽

Functional Theory ◽

Ligand Field Theory ◽

Theory Reformulation

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Structural and electronic properties of epitaxially strainedLaVO3from density functional theory and dynamical mean-field theory

Physical Review B ◽

10.1103/physrevb.92.235112 ◽

2015 ◽

Vol 92 (23) ◽

Cited By ~ 14

Author(s):

Gabriele Sclauzero ◽

Claude Ederer

Keyword(s):

Field Theory ◽

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Mean Field Theory ◽

Mean Field ◽

Dynamical Mean Field Theory ◽

Functional Theory ◽

Structural And Electronic Properties

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Morphology transformation of micelles self-assembled from amphiphilic coil-coil diblock copolymer/nanoparticle mixture in dilute solution by combining self-consistent field theory and density functional theory

Chemical Physics Letters ◽

10.1016/j.cplett.2018.07.053 ◽

2018 ◽

Vol 710 ◽

pp. 215-220 ◽

Cited By ~ 2

Author(s):

Jianlei Wang ◽

Yonggui Li ◽

Longhui Zheng ◽

Haopeng Wang ◽

Lixin Wu ◽

...

Keyword(s):

Field Theory ◽

Density Functional Theory ◽

Diblock Copolymer ◽

Density Functional ◽

Dilute Solution ◽

Functional Theory ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Self Consistent Field Theory

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An Average-of-Configuration Method for Using Kohn−Sham Density Functional Theory in Modeling Ligand-Field Theory†

Inorganic Chemistry ◽

10.1021/ic0262233 ◽

2003 ◽

Vol 42 (13) ◽

pp. 4088-4097 ◽

Cited By ~ 17

Author(s):

Christian Anthon ◽

Jesper Bendix ◽

Claus E. Schäffer

Keyword(s):

Field Theory ◽

Density Functional Theory ◽

Density Functional ◽

Ligand Field ◽

Functional Theory ◽

Ligand Field Theory

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