Hartree-Fock-Slater Method for Materials Science The DV-Xα Method for Design and Characterization of Materials /

• Corporate Author: SpringerLink (Online service)
• Other Authors: Adachi, Hirohiko (Editor), Mukoyama, Takeshi (Editor), Kawai, Jun (Editor)
• Format: Electronic eBook
• Language: English
• Published: Berlin, Heidelberg : Springer Berlin Heidelberg, 2006.
• Series: Springer Series in Materials Science, 84
• Subjects: Physics.; Condensed matter.; Engineering.; Materials science.; Condensed Matter Physics.; Materials Science, general.; Engineering, general.

Molecular-orbital calculations for materials design such as alloys, ceramics, and coordination compounds are now possible for experimentalists. Molecuar-orbital calculations for the interpretation of chemical effect of spectra are also possible for experimentalists. The most suitable molecular-orbit...