Mechanical and electronic properties of endofullerene Ne@C60 studied via structure distortions

Molecular Physics

Volumn 106, Issue 5, 2008, Pages 703-716

  Wang, Z Y ^a,c   Su, K H ^b   Fan, H Q ^c   Li, Y L ^b   Wen, Z Y ^d  

^a SHAANXI UNIVERSITY OF TECHNOLOGY   (China)

^b NORTHWESTERN POLYTECHNICAL UNIVERSITY   (China)

^c NORTHWESTERN POLYTECHNICAL UNIVERSITY   (China)

^d NORTHWEST UNIVERSITY   (China)

Author keywords

DFT; Elastic properties; Electronic properties; Electronic spectrum; Endohedral fullerene; Ne@C60

Indexed keywords

ELECTRONIC PROPERTIES; HELIUM; MECHANICAL PROPERTIES; MOLECULAR SPECTROSCOPY; NEON; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY; SILVER; SURFACE POTENTIAL; TELEMETERING SYSTEMS;

(PL) PROPERTIES; CROSS-LINKAGES; DENSITY-FUNCTIONAL (DF); ELASTIC PROPERTIES; ELECTRONIC SPECTRUM; ENERGY SURFACES; GROUND ELECTRONIC STATES; POTENTIAL ENERGY CURVES (PECS); SINGLE-ELECTRON DEVICE (SED); SINGLE-ELECTRON PUMPS; SPECTRA (CO); STRENGTH (IGC: D5/D6); STRUCTURE DISTORTIONS; TIME-DEPENDENT;

DENSITY FUNCTIONAL THEORY;

EID: 45849090391     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970801941791     Document Type: Article

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