LDA calculations of the Young's moduli of polyethylene and six polyfluoroethylenes

Authors
Zhang, ML Miao, MS Peeters, A Van Alsenoy, C Ladik, JJ Van Doren, VE
Citation
Ml. Zhang et al., LDA calculations of the Young's moduli of polyethylene and six polyfluoroethylenes, SOL ST COMM, 116(6), 2000, pp. 339-343
Citations number
47
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
SOLID STATE COMMUNICATIONS
ISSN journal
00381098 → ACNP
Volume
116
Issue
6
Year of publication
2000
Pages
339 - 343
Database
ISI
SICI code
0038-1098(2000)116:6<339:LCOTYM>2.0.ZU;2-1
Abstract
The Young's moduli of the linear chain polymers, polyethylene and six polyf luoroethylenes, constrained to the planar conformation, are calculated by m eans of the local density approximation (LDA) using the Perdew-Zunger (PZ) correlation potential and a linear combination of Gaussian-type orbitals (L CGTO). (C) 2000 Published by Elsevier Science Ltd.