Kullback-Leibler and relative Fisher information as descriptors of locality

• 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 alpha 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.

Ämnesord

NATURVETENSKAP  -- Kemi -- Teoretisk kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)

TEKNIK OCH TEKNOLOGIER  -- Elektroteknik och elektronik -- Signalbehandling (hsv//swe)

ENGINEERING AND TECHNOLOGY  -- Electrical Engineering, Electronic Engineering, Information Engineering -- Signal Processing (hsv//eng)

Nyckelord

density functional theory

descriptors of locality

Kullback-Leibler information

relative Fisher information

Publikations- och innehållstyp

ref (ämneskategori)

art (ämneskategori)