search-white-svg
Meine Position
i
Ein Tipp vom Eldar Team
Je mehr Sie bestellen, desto grösser Ihr Rabatt
Lieferbar
Density Functional Theory of Molecules, Clusters, and Solids
Buch
Buch
Fachbuch
2012

Density Functional Theory of Molecules, Clusters, and Solids

Herausgeber/-in
ISBN
EAN
978-94-010-4218-5
9789401042185
Artikel-Nr.
LVWYKPV
Kostenloser Versand
Rabatt
-11.9
%
CHF 165.00
CHF
145.28
Anzahl
1
Maximale
Lieferzeit
20
Arbeitstage
Montag
27.12.2021
speech-bubble-svg Beschreibung
Rapid advances are taking place in the application of density functional theory (DFT) to describe complex electronic structures, to accurately treat large systems and to predict physical and chemical properties. Both theoretical content and computational methodology are developing at a pace which offers researchers new opportunities in areas such as quantum chemistry, cluster science, and solid state physics.
This volume contains ten contributions by leading scientists in the field and provides an authoritative overview of the most important developments. The book focuses on the following themes: determining adequate approximations for the many-body problem of electronic correlations; how to transform these approximations into computational algorithms; applications to discover and predict properties of electronic systems; and developing the theory.
For researchers in surface chemistry, catalysis, ceramics and inorganic chemistry.
feather-svg
Stichwörter
search-svg
catalysis
search-svg
ceramic
search-svg
chemistry
search-svg
fullerene
search-svg
inorganic chemistry
search-svg
quantum chemistry
search-svg
structure
Zielgruppe
Research
Inhaltsverzeichnis
Editor's Foreword. 1. Fermi Holes and Coulomb Holes; M.A. Buijse, E.J. Baerends. 2. Nonlocal Density Functionals for Exchange and Correlation: Theory and Applications; J.P. Perdew. 3. The Application of Nonlocal and Self-Consistent Density Functional Theory to Molecular Problems; Liangyou Fan, T. Ziegler. 4. Density Functional Calculations on Special Clusters; B.I. Dunlap. 5. Clusters and Cluster Reactions; P. Jena, S.N. Khanna, B.K. Rao. 6. LDF Structure of Fullerene Tubules; J.W. Mintmire. 7. Electronic Structure of Solid-State Systems via the Divide and Conquer Method; Weitao Yang, Zhongxiang Zhou. 8. Local Density Calculation of the Optical Properties of Insulators; W.Y. Ching. 9. Defect Structure of Solids; V.A. Gubanov, A.L. Invanovsky. 10. Embedded Clusters: a Viable Approach for Surfaces and Impurities; D.E. Ellis, J. Guo. Index.
feather-svg
Herausgeber/-in
Herausgegeben von
Publikation
Niederlande
05.11.2012
speech-bubble-svg
Sprache
Englisch
book-svg Format
Softcover
320 Seiten
24 cm
(Höhe)
16 cm
(Breite)
532 g
(Gewicht)
package-svg Versand
Kostenloser Versand: Schweiz & Liechtenstein
Für den Versand nach Deutschland oder Frankreich werden die Versandgebühren der Schweizerischen Post berechnet. Diese werden Ihnen im Warenkorb für Ihre gesamte Bestellung berechnet.
credit-card-svg Zahlungsarten
payment-einzahlungsschein payment-twint payment-mastercard payment-visa payment-american-express payment-paypal
Bestellen Sie einfach auf Rechnung oder bezahlen Sie bequem und gebührenfrei mit Twint, Kreditkarte oder PayPal.
subcategories-svg
Passende Themen
Zurück
Zum Start
S
SPIEGEL Bestseller
Hauptkategorie