Engineering
Hartree-Fock-Slater Method for Materials Science (English, Hirohiko Adachi | Takeshi Mukoyama | Jun Kawai)
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About the Book
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-orbital calculation method for these purpose is the DV-Xa method, which is robust in such a way that the calculation converges to a result even if the stru…
ISBN: 9783540245087
Book Specifications
| ISBN-13 | 9783540245087 |
| ISBN-10 | 3540245081 |
| Publisher | Springer |
| Category | Engineering |
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