Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1864401 | Physics Letters A | 2006 | 4 Pages |
Abstract
It is found that number-conserving second derivatives, of functional differentiation constrained to the domain of functional variables Ï(x) of a given norm â«Ï(x)dx, are not obtained via two successive number-conserving differentiations, contrary to the case of unrestricted second derivatives. Investigating the role of second number-conserving derivatives, with the density-functional formulation of time-dependent quantum mechanics in focus, it is shown how number-conserving differentiation handles the dual nature of the Kohn-Sham potential arising in the practical use of the theory. On the other hand, it is pointed out that number-conserving derivatives cannot resolve the causality paradox connected with the second derivative of the exchange-correlation part of the action density functional.
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Physics and Astronomy (General)
Authors
Tamás Gál,