Journal
JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL
Volume 41, Issue 5, Pages -Publisher
IOP Publishing Ltd
DOI: 10.1088/1751-8113/41/5/055302
Keywords
-
Categories
Ask authors/readers for more resources
Gradient-dependent approximations to the functional of the kinetic energy of non-interacting electrons (T-s[rho]), which reflect various properties of the exact functional, are considered. For specially constructed pairs of electron densities, for which the analytic expression for the differences of T-s[rho] is known, it is shown that the accuracy of the quantities derivable from a given approximation to T-s[rho]: energy differences and their functional derivatives, does not reflect that of T-s[rho] itself. The comparisons between the exact values of the kinetic energy in such cases are proposed as an independent condition/criterion for appraisal of approximations to T-s[rho].
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available