A1 Vertaisarvioitu alkuperäisartikkeli tieteellisessä lehdessä
Kullback–Leibler and relative Fisher information as descriptors of locality
Tekijät: Henrik Levämäki, Agnes Nagy, Iiro Vilja, Kalevi Kokko, Levente Vitos
Kustantaja: John Wiley & Sons, Inc.
Julkaisuvuosi: 2018
Journal: International Journal of Quantum Chemistry
Vuosikerta: 118
Numero: 12
Sivujen määrä: 12
ISSN: 0020-7608
eISSN: 1097-461X
DOI: https://doi.org/10.1002/qua.25557
Rinnakkaistallenteen osoite: https://research.utu.fi/converis/portal/detail/Publication/28574217
Kullback–Leibler and relative Fisher information functionals are applied in studying deviation from
local density approximation. The reduced density gradient s and the local kinetic energy parameter
a are key ingredients of these new locality descriptors. The relative Kullback–Leibler information
density contains extra knowledge as it is negative where the given probability density is smaller
than the reference density. The relative Fisher information incorporates the highest order deviations
from the uniform electron gas approximation.
Ladattava julkaisu This is an electronic reprint of the original article. |  |
