Articoli correlati a A Chemist's Guide to Density Functional Theory:...
A Chemist's Guide to Density Functional Theory: An Introduction and Practical Guide to DFT Calculations - Rilegato
Sinossi
Density functional theory (DFT) has become a major technique in quantum chemical calculations. In particular its excellent "price/performance" ratio has resulted in a growing number of DFT applications in computational chemistry. The fact that modern DFT programs can be used as black box tools on PCs makes them attractive for users without a deep quantum theoretical background. However, the uncritical use of theoretical strategies easily produces misleading or even plainly wrong results. This text is dedicated to such users in the area of chemistry. It provides a detailed discussion of the merits and difficulties of DFT calculations and presents a section with explicit examples of the most important quantum chemical applications. Thus it serves two purposes as: an easy-to-read introduction into DFT and its philosphy; and a practical guide to DFT calculations.
Le informazioni nella sezione "Riassunto" possono far riferimento a edizioni diverse di questo titolo.
- EditoreWiley-VCH Verlag GmbH
- Data di pubblicazione2000
- ISBN 10 3527299181
- ISBN 13 9783527299188
- RilegaturaCopertina rigida
- LinguaInglese
- Numero di pagine308
(nessuna copia disponibile)
Cerca: Inserisci un desiderataNon riesci a trovare il libro che stai cercando? Continueremo a cercarlo per te. Se uno dei nostri librai lo aggiunge ad AbeBooks, ti invieremo una notifica!
Inserisci un desiderata
