StartseiteGruppenForumMehrZeitgeist
Web-Site durchsuchen
Diese Seite verwendet Cookies für unsere Dienste, zur Verbesserung unserer Leistungen, für Analytik und (falls Sie nicht eingeloggt sind) für Werbung. Indem Sie LibraryThing nutzen, erklären Sie dass Sie unsere Nutzungsbedingungen und Datenschutzrichtlinie gelesen und verstanden haben. Die Nutzung unserer Webseite und Dienste unterliegt diesen Richtlinien und Geschäftsbedingungen.

Ergebnisse von Google Books

Auf ein Miniaturbild klicken, um zu Google Books zu gelangen.

Lädt ...

Advanced Calculations for Defects in Materials: Electronic Structure Methods

von Audrius Alkauskas

MitgliederRezensionenBeliebtheitDurchschnittliche BewertungDiskussionen
4Keine3,455,875KeineKeine
This book investigates the possible ways of improvement by applying more sophisticated electronic structure methods as well as corrections and alternatives to the supercell model. In particular, the merits of hybrid and screened functionals, as well as of the +U methods are assessed in comparison to various perturbative and Quantum Monte Carlo many body theories. The inclusion of excitonic effects is also discussed by way of solving the Bethe-Salpeter equation or by using time-dependent DFT, based on GW or hybrid functional calculations. Particular attention is paid to overcome the side effects connected to finite size modeling. The editors are well known authorities in this field, and very knowledgeable of past developments as well as current advances. In turn, they have selected respected scientists as chapter authors to provide an expert view of the latest advances. The result is a clear overview of the connections and boundaries between these methods, as well as the broad criteria determining the choice between them for a given problem. Readers will find various correction schemes for the supercell model, a description of alternatives by applying embedding techniques, as well as algorithmic improvements allowing the treatment of an ever larger number of atoms at a high level of sophistication.… (mehr)
Kürzlich hinzugefügt vonai51
Keine
Lädt ...

Melde dich bei LibraryThing an um herauszufinden, ob du dieses Buch mögen würdest.

Keine aktuelle Diskussion zu diesem Buch.

Keine Rezensionen
keine Rezensionen | Rezension hinzufügen
Du musst dich einloggen, um "Wissenswertes" zu bearbeiten.
Weitere Hilfe gibt es auf der "Wissenswertes"-Hilfe-Seite.
Gebräuchlichster Titel
Originaltitel
Alternative Titel
Ursprüngliches Erscheinungsdatum
Figuren/Charaktere
Wichtige Schauplätze
Wichtige Ereignisse
Zugehörige Filme
Epigraph (Motto/Zitat)
Widmung
Erste Worte
Zitate
Letzte Worte
Hinweis zur Identitätsklärung
Verlagslektoren
Werbezitate von
Originalsprache
Anerkannter DDC/MDS
Anerkannter LCC

Literaturhinweise zu diesem Werk aus externen Quellen.

Wikipedia auf Englisch

Keine

This book investigates the possible ways of improvement by applying more sophisticated electronic structure methods as well as corrections and alternatives to the supercell model. In particular, the merits of hybrid and screened functionals, as well as of the +U methods are assessed in comparison to various perturbative and Quantum Monte Carlo many body theories. The inclusion of excitonic effects is also discussed by way of solving the Bethe-Salpeter equation or by using time-dependent DFT, based on GW or hybrid functional calculations. Particular attention is paid to overcome the side effects connected to finite size modeling. The editors are well known authorities in this field, and very knowledgeable of past developments as well as current advances. In turn, they have selected respected scientists as chapter authors to provide an expert view of the latest advances. The result is a clear overview of the connections and boundaries between these methods, as well as the broad criteria determining the choice between them for a given problem. Readers will find various correction schemes for the supercell model, a description of alternatives by applying embedding techniques, as well as algorithmic improvements allowing the treatment of an ever larger number of atoms at a high level of sophistication.

Keine Bibliotheksbeschreibungen gefunden.

Buchbeschreibung
Zusammenfassung in Haiku-Form

Aktuelle Diskussionen

Keine

Beliebte Umschlagbilder

Gespeicherte Links

Bewertung

Durchschnitt: Keine Bewertungen.

Bist das du?

Werde ein LibraryThing-Autor.

 

Über uns | Kontakt/Impressum | LibraryThing.com | Datenschutz/Nutzungsbedingungen | Hilfe/FAQs | Blog | LT-Shop | APIs | TinyCat | Nachlassbibliotheken | Vorab-Rezensenten | Wissenswertes | 206,836,691 Bücher! | Menüleiste: Immer sichtbar