A Quasiparticle Fermi-Liquid Density Functional Approach to Atomic and Diatomic Systems: Spectroscopic Factors

Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology - Progress in Theoretical Chemistry and Physics ◽

10.1007/978-3-030-68314-6_7 ◽

2021 ◽

pp. 133-150

Author(s):

Alexander V. Glushkov ◽

Anna V. Ignatenko ◽

Andrey V. Tsudik ◽

Alexei L. Mykhailov

Keyword(s):

Fermi Liquid ◽

Density Functional ◽

Functional Approach ◽

Liquid Density ◽

Spectroscopic Factors ◽

Diatomic Systems

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Hard sphere cavity in a liquid‐density functional approach

The Journal of Chemical Physics ◽

10.1063/1.464454 ◽

1993 ◽

Vol 98 (11) ◽

pp. 8958-8962 ◽

Author(s):

A. Samborski ◽

J. Stecki ◽

A. Poniewierski

Keyword(s):

Hard Sphere ◽

Density Functional ◽

Functional Approach ◽

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Density-functional approach to curvature elasticity in a liquid-density nematic system

Physical Review A ◽

10.1103/physreva.39.3631 ◽

1989 ◽

Vol 39 (7) ◽

pp. 3631-3639 ◽

Author(s):

Sin-Doo Lee

Keyword(s):

Density Functional ◽

Functional Approach ◽

Liquid Density ◽

Curvature Elasticity

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Structure and phase transitions in a network-forming associating Lennard-Jones fluid in a slit-like pore: a density functional approach

Molecular Physics ◽

10.1080/002689799163154 ◽

1999 ◽

Vol 97 (8) ◽

pp. 919-930 ◽

Author(s):

Adrian Huerta, Stefan Sokolowski, Orest Pi

Keyword(s):

Phase Transitions ◽

Density Functional ◽

Functional Approach ◽

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Dataset on structure and physical properties of stable diatomic systems based on van der Waals density functional method

Data in Brief ◽

10.1016/j.dib.2021.106968 ◽

2021 ◽

pp. 106968

Author(s):

Kiyou Shibata ◽

Eiki Suzuki ◽

Teruyasu Mizoguchi

Keyword(s):

Physical Properties ◽

Density Functional ◽

Van Der Waals ◽

Density Functional Method ◽

Functional Method ◽

Diatomic Systems

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Understanding structure-activity relation in VxOy clusters of varied stoichiometry and sizes through conceptual density functional approach

Journal of Molecular Modeling ◽

10.1007/s00894-019-4168-3 ◽

2019 ◽

Vol 25 (11) ◽

Author(s):

Navjot Kaur ◽

Shuchi Gupta ◽

Neetu Goel

Keyword(s):

Density Functional ◽

Functional Approach ◽

Structure Activity

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Microstructure and Self-Assembly of Inhomogeneous Rigid Rodlike Chains between Two Neutral Surfaces: A Hybrid Density Functional Approach

The Journal of Physical Chemistry B ◽

10.1021/jp064040m ◽

2006 ◽

Vol 110 (43) ◽

pp. 21882-21889 ◽

Author(s):

Dapeng Cao ◽

Menghan Zhu ◽

Wenchuan Wang

Keyword(s):

Self Assembly ◽

Density Functional ◽

Functional Approach ◽

Hybrid Density Functional

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Further investigation of the spatial generalization of Kato's theorem by a variational density-functional approach

International Journal of Quantum Chemistry ◽

10.1002/qua.560400312 ◽

1991 ◽

Vol 40 (3) ◽

pp. 409-414 ◽

Author(s):

P. Csavinszky ◽

T. Kubaska

Keyword(s):

Density Functional ◽

Functional Approach

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Analytic energy derivatives in the numerical local‐density‐functional approach

The Journal of Chemical Physics ◽

10.1063/1.460208 ◽

1991 ◽

Vol 94 (11) ◽

pp. 7245-7250 ◽

Author(s):

B. Delley

Keyword(s):

Density Functional ◽

Local Density ◽

Functional Approach ◽

Energy Derivatives ◽

Analytic Energy Derivatives ◽

Local Density Functional

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Erratum: A density functional approach to freezing transitions in molecular fluids: Dipolar hard spheres [J. Chem. Phys. 86, 4146 (1987)]

The Journal of Chemical Physics ◽

10.1063/1.454776 ◽

1988 ◽

Vol 88 (2) ◽

pp. 1476-1477 ◽

Author(s):

William E. McMullen ◽

David W. Oxtoby

Keyword(s):

Density Functional ◽

Hard Spheres ◽

Chem Phys ◽

Functional Approach ◽

Molecular Fluids

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A density functional approach to characterize anisotropic hyperelastic behavior of organic crystals: Case study of nylon-6,6

Computational Materials Science ◽

10.1016/j.commatsci.2016.08.004 ◽

2016 ◽

Vol 124 ◽

pp. 390-397 ◽

Author(s):

H. Farahmand ◽

A.R. Setoodeh

Keyword(s):

Density Functional ◽

Functional Approach ◽

Organic Crystals ◽

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