scholarly journals Relationship between local molecular field theory and density functional theory for non-uniform liquids

2013 ◽  
Vol 138 (1) ◽  
pp. 014502 ◽  
Author(s):  
A. J. Archer ◽  
R. Evans
Keyword(s):  
Field Theory ◽  
Density Functional Theory ◽  
Density Functional ◽  
Molecular Field ◽  
Functional Theory ◽  
Molecular Field Theory ◽  
Local Molecular Field Theory

CALCULATION OF DYNAMICAL MAGNETIC SUSCEPTIBILITIES OF TRANSITION METAL ELEMENTS AND ORDERED COMPOUNDS

1993 ◽  
Vol 07 (01n03) ◽  
pp. 760-764 ◽  
Author(s):  
G.J. McMULLAN
Keyword(s):  
Density Functional Theory ◽  
Magnetic Susceptibility ◽  
Low Temperatures ◽  
Density Functional ◽  
Molecular Field ◽  
Field Parameter ◽  
Scattering Data ◽  
Functional Theory ◽  
Magnetic Susceptibilities ◽  
Lindhard Function

The dynamical magnetic susceptibility χ(q, ω) may be modelled in terms of a band Lindhard function χo(q, ω) and a generalised molecular field parameter λ(q, ω). Comparison of χo(q, ω) calculated within density functional theory and information on χ(q, ω) inferred from neutron scattering data in nearly magnetic metals suggests that at low temperatures it is possible to understand the main features of χ(q, ω) at small ω near the ordering wavevector in terms of the Lindhard function and a qand ω independent molecular field parameter.

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

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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