Lavoisier S.A.S.
14 rue de Provigny
94236 Cachan cedex
FRANCE

Heures d'ouverture 08h30-12h30/13h30-17h30
Tél.: +33 (0)1 47 40 67 00
Fax: +33 (0)1 47 40 67 02


Url canonique : www.lavoisier.fr/livre/autre/density-functional-theory-on-quantum-chemistry/tsuneda/descriptif_2929751
Url courte ou permalien : www.lavoisier.fr/livre/notice.asp?ouvrage=2929751

Density Functional Theory on Quantum Chemistry, Softcover reprint of the original 1st ed. 2014

Langue : Anglais

Auteur :

Couverture de l’ouvrage Density Functional Theory on Quantum Chemistry
In this book, density functional theory (DFT) is introduced within the overall context of quantum chemistry. DFT has become the most frequently used theory in quantum chemistry calculations. However, thus far, there has been no book on the fundamentals of DFT that uses the terminology and methodology of quantum chemistry, which is familiar to many chemists, including experimentalists. This book first reviews the basic concepts and historical background of quantum chemistry and then explains those of DFT, showing how the latter fits into the bigger picture. Recent interesting topics of DFT in chemistry are also targeted. In particular, the physical meanings of state-of-the-art exchange-correlation functionals and their corrections are described in detail. Owing to its unconventionality, this book is certain to be of great interest not only to chemists but also to solid state physicists.
Quantum Chemistry.- Hartree-Fock method.- Electron correlation.- Kohn-Sham method.- Exchange-correlation functionals.- Corrections for functionals.- Orbital energy.- Appendix: Fundamental Conditions.

Is an unconventional book on DFT based on quantum chemistry

Focuses on the bare essentials of DFT that are necessary for the treatment of chemical problems 

Presents the details of state-of-the-art functionals, their corrections, and recent interesting topics

Date de parution :

Ouvrage de 200 p.

15.5x23.5 cm

Disponible chez l'éditeur (délai d'approvisionnement : 15 jours).

Prix indicatif 98,58 €

Ajouter au panier

Date de parution :

Ouvrage de 200 p.

15.5x23.5 cm

Disponible chez l'éditeur (délai d'approvisionnement : 15 jours).

Prix indicatif 126,59 €

Ajouter au panier
En continuant à naviguer, vous autorisez Lavoisier à déposer des cookies à des fins de mesure d'audience. Pour en savoir plus et paramétrer les cookies, rendez-vous sur la page Confidentialité & Sécurité.
FERMER