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 method of local-scaling transformations is developed with a view to applications of the nonrelativistic quantum mechanical variational principle in quantum chemistry. Some properties of local-scaling transformations are studied. The method presented links local-scaling transformations and one-electron densities via the ordinary differential equation that provides a proof of the theorem on the existence of the energy density functional within any given orbit and its universality in a sense of the general theory of ordinary differential equations, and allows the construction of this functional explicitly.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560290113
