Electronic structure, dielectric properties and infrared vibrational spectrum of fayalite: An ab initio simulation with an all-electron Gaussian basis set and the B3LYP functional

✍ Scribed by Y. Noël; M. De La Pierre; L. Maschio; M. Rérat; C. M. Zicovich-Wilson; R. Dovesi

• Book ID: 112185559
• Publisher: John Wiley and Sons
• Year: 2011
• Tongue: English
• Weight: 292 KB
• Volume: 112
• Category: Article
• ISSN: 0020-7608
• DOI: 10.1002/qua.23195