The construction of a reliable potential for GeO2 from first principles

Molecular Physics

Volumn 107, Issue 4-6, 2009, Pages 443-452

  Marrocchelli, D ^a   Salanne, M ^b,c   Madden, P A ^d   Simon, C ^b,c   Turq, P ^b,c  

^a UNIVERSITY OF EDINBURGH   (United Kingdom)

^b SORBONNE UNIVERSITÉ   (France)

^c CNRS   (France)

^d UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

GeO2; Infrared spectrum; Molecular dynamics; Polarization effects; SiO2

Indexed keywords

DEGREE OF PRECISION; DIELECTRIC FUNCTIONS; DIPOLE POLARIZATION; EXPERIMENTAL SPECTRA; FIRST-PRINCIPLES; GEO2; INFRARED SPECTRUM; IONIC SOLUTIONS; POLARIZATION EFFECTS; SIO2;

MOLECULAR DYNAMICS; POLARIZATION;

INFRARED SPECTROSCOPY;

EID: 68249152282     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970902845347     Document Type: Article

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