ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Some new properties of the Lagrange multiplier μ introduced through the normalization constraint on ρ in the variations of energy density functionals are determined. Through arguments concerning the homogeneity properties of these functionals with respect to μ, it is demonstrated that at the point of variation μ = μ0 = E0/N, where E0 is the ground state energy and N is the total particle number. It is also shown that the value of μ0 is independent of the normalization imposed on ρ. The interpretation of μ0 as a chemical potential is discussed in the light of these findings.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560220517
Permalink