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Electron localization function

In quantum chemistry, the electron localization function (ELF) is a measure of the likelihood of finding an electron in the neighborhood space of a reference electron located at a given point and with the same spin. Physically, this measures the extent of spatial localization of the reference electron and provides a method for the mapping of electron…

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Electron localization function

Nodes28
Edges27
Triples7
Avg. degree1.93
Density0.071429
Components1

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electron density localization elf analysis atoms theory spin measure molecules also approach elfs using bader space function reference given method

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SubjectPredicateObjectConfidenceSrc
multipole momentsinstance ofBader's analysis allows many properties0.80text
energiesinstance ofBader's analysis allows many properties0.80text
forcesinstance ofBader's analysis allows many properties0.80text
to be partitioned in a defensibleinstance ofBader's analysis allows many properties0.80text
consistent manner to individual atoms within molecules.Both the Bader approachinstance ofBader's analysis allows many properties0.80text
the ELF approach to partitioning of molecular properties have gained popularity in recent years because the fastestinstance ofBader's analysis allows many properties0.80text
accurate ab-initio calculations of molecular properties are now mostly made using density functional theoryinstance ofBader's analysis allows many properties0.80text

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