Electronic Resource
New York, NY
:
Wiley-Blackwell
International Journal of Quantum Chemistry
30 (1986), S. 767-768
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:
The formal structure of density functional theory should include a third theorem stating that: “the internal symmetry of the system, through a set of parameters {Ci.N}, is a necessary part of the theory”. The variational equations should read δE[ρ;{Ci.N}] = 0, and the parameters Ci.N included either in the construction of the density function (as in the Kohn-Sham procedure) or in the energy functional itself.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560300766
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