Spin density functional theory. VII. Euler-Lagrange equation for p(r)
AbstractAbstract
[en] In two previous papers we expressed the total energy of the spin multiplicities of a multi-fermionic system, within an orbit induced by a local-scale transformation with scalar function f(r), as an exact functional of the components of the single-particle density p(r). In this paper we provide an integral-differential equation implicit in p(r) and show how to solve it interactively using f(r). We also show how to derive a similar equation explicit in f(r) after expressing the total energy as a functional of f. (authors). 12 refs
Original Title
Theorie de la fonctionnelle de la densite avec spin. VII. Equation d'Euler-Lagrange pour p(r)
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Journal Article
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Comptes Rendus de l'Academie des Sciences. Serie 2, Mecanique, Physique, Chimie, Astronomie; ISSN 1251-8069; ; CODEN CMCAEK; v. 321(9); p. 371-376
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Descriptors (DEI)
DENSITY MATRIX, DIFFERENTIAL EQUATIONS, ELECTRON DENSITY, ELECTRON EXCHANGE, ELECTRON-ELECTRON INTERACTIONS, ELECTRONIC STRUCTURE, ELECTRON-NUCLEON INTERACTIONS, ENERGY DENSITY, FERMIONS, FUNCTIONALS, HAMILTONIANS, HILBERT SPACE, INTEGRAL EQUATIONS, JACOBIAN FUNCTION, KINETIC ENERGY, LAGRANGE EQUATIONS, MULTIPLICITY, POTENTIAL ENERGY, SCALARS, SCHROEDINGER EQUATION, SPIN, THOMAS-FERMI MODEL, WAVE FUNCTIONS
Descriptors (DEC)
ANGULAR MOMENTUM, BANACH SPACE, ELECTRON TRANSFER, ENERGY, EQUATIONS, FUNCTIONS, INTERACTIONS, LEPTON-BARYON INTERACTIONS, LEPTON-HADRON INTERACTIONS, LEPTON-LEPTON INTERACTIONS, LEPTON-NUCLEON INTERACTIONS, MATHEMATICAL MODELS, MATHEMATICAL OPERATORS, MATHEMATICAL SPACE, MATRICES, PARTIAL DIFFERENTIAL EQUATIONS, PARTICLE INTERACTIONS, PARTICLE PROPERTIES, QUANTUM OPERATORS, SPACE, WAVE EQUATIONS
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