The presence of covalent bond character between M and L is supported by the localized orbital locator, electron localization function and energy decomposition analysis.
The analyses use electron localization function (ELF) obtained within density functional theory calculations showing the development of the LP triplets whirling {E3} quantified in the relevant chemical systems.
To avoid the sidelobe effect, a two-dimensional localization function can be used to better localize the information of the autocorrelation function in the neighborhood of time instant.
Interatomic interactions were studied by a quantum-chemical topological method "Electron localization function" (ELF) [13].
The electron localization function of 20YBNR allotropes is plotted in Fig. 8a.
More interestingly, the electron localization function suggests the Li C system is likely to become 2D electride compounds.
Approximate determination of electron localization function (ELF) from electron density and its first and second derivatives is described.
The observed strengths are explained by using charge distribution, electron localization function, and Bader charge transfer analyses.
In addition, the nature of chemical bonding has been highlighted by means of the analysis of the electron localization function.
A different choice of the localization function produces a time-varying spectrum with different characteristics in the time-frequency domain.
With many choices of localization functions, a time-varying spectrum defined by (10) is certainly not unique.
