ausblenden:
Schlagwörter:
electron localizability; hexagonal elements; basin population; FPLO calculation
Zusammenfassung:
For 21 elements crystallizing in hexagonal structure density functional calculations were performed. The topology of the electron localizability indicator (ELI) allows classifying the elements as appertaining to one of six patterns. The bifurcation diagrams as well as the electron populations in ELI basins for each pattern are discussed. (C) 2008 Wiley Periodicals Inc.
