Optimised projections for the ab initio simulation of large and strongly correlated systems :: SCD d'Orléans

Optimised projections for the ab initio simulation of large and strongly correlated systems

Optimised projections for the ab initio simulation of large and strongly correlated systems

Density functional theory (DFT) has become the standard workhorse for quantum mechanical simulations as it offers a good compromise between accuracy and computational cost. However, there are many important systems for which DFT performs very poorly, most notably strongly-correlated materials, resul...

Fuld beskrivelse

Enregistré dans:

Bibliografiske detaljer
Hovedforfatter:	O'Regan, David D.
Format:	Thèse numérique
Sprog:	Anglais
Udgivet:	Berlin, Heidelberg : Springer Berlin Heidelberg 2012. Cham : Springer Nature
Serier:	Springer Theses, Recognizing Outstanding Ph.D. Research
Fag:	Théorie de la fonctionnelle de densité Problème des N corps
Online adgang:	Accès sur la plateforme de l'éditeur Accès sur la plateforme Istex Accès Université d'Orléans Accès INSA CVL
Kommentar:	Archives Springer e-books (Licence nationale) Archives Springer e-books (Licence nationale)
Autres localisations:	Voir dans le Sudoc
Edition sous un autre format:	• Optimised Projections for the Ab Initio Simulation of Large and Strongly Correlated Systems, Texte imprimé, 9783642232374 • Optimised Projections for the Ab Initio Simulation of Large and Strongly Correlated Systems, Texte imprimé, 9783642232398 • Optimised Projections for the Ab Initio Simulation of Large and Strongly Correlated Systems, Texte imprimé, 9783642269738

Lignende værker

Strongly correlated systems : theoretical methods
af: Avella, Adolfo, et autres
Udgivet: (2012)

Strongly correlated systems : numerical methods
Udgivet: (2013)

A Primer in density functional theory
af: Fiolhais, Carlos, 1956-

Nonequilibrium Phenomena in Strongly Correlated Systems
Udgivet: (2021)

Self-consistent quantum field theory and bosonization for strongly correlated electron systems
af: Haussmann, Rudolf, 1965-

Extended density functionals in nuclear structure physics
af: Lalazissis, Georgios A., 19..-

New Theoretical Approaches to Strongly Correlated Systems

Open Problems in Strongly Correlated Electron Systems

Density-functional theory of atoms and molecules
af: Parr, Robert Ghormley, 1921-2017, et autres
Udgivet: (1989)

Ab Initio Calculations : Methods and Applications in Chemistry
af: Čársky, Petr, et autres

Fundamentals of Time-Dependent Density Functional Theory
af: Marques, Miguel Alexandre L., 19..-

Time-Dependent Density Functional Theory
af: Marques, Miguel A. L.

Principles and applications of densitiy functional theory in inorganic chemistry.
af: Kaltsoyannis, Nikolas

Principles and applications of densitiy functional theory in inorganic chemistry.
af: Kaltsoyannis, Nikolas

Advances in the Atomic-Scale Modeling of Nanosystems and Nanostructured Materials
af: Massobrio, Carlo
Udgivet: (2010)

Conception and synthesis of pyrazino-1,3a,6a-triazapentalenes for photocatalytic applications
af: Amaratunga, Navod Angelo, 1998-
Udgivet: (2025)

Theoretical methods for strongly correlated electrons

Electronic Structure of Strongly Correlated Materials
af: Anisimov, Vladimir, et autres

Ab Initio Calculations of Conformational Effects on
af: Born, R., et autres

AB Initio Calculation of Phonon Spectra

Ab initio characterization of linear C
af: N. Inostroza, et autres
Udgivet: (2008)

Hartree-Fock Ab Initio Treatment of Crystalline Systems
af: Pisani, C., et autres

Density functionals : theory and applications : proceedings of the Tenth Chris Engelbrecht Summer School in Theoretical Physics Held at Meerensee, near Cape Town South Africa, 19 29 January 1997

La verticalisation de Mexico : une nouvelle forme d’urbanité ? Le cas de Plaza Carso à Nuevo Polanco
af: Peynichou, Lorraine
Udgivet: (2017)

Strongly Correlated Fermions and Bosons in Low-Dimensional Disordered Systems

Transport phenomena in strongly correlated Fermi liquids
af: Kontani, Hiroshi

Density functional theory. functionals and effective potentials
af: Nalewajski, Roman Franciszek, 1947-

Density functional theory. relativistic and time dependent extensions
af: Nalewajski, Roman Franciszek, 1947-

The Augmented Spherical Wave Method : A Comprehensive Treatment
af: Eyert, Volker, 19..-

Density functional theory. interpretation, atoms, molecules and clusters
af: Nalewajski, Roman Franciszek, 1947-

Strongly correlated magnetic and superconducting systems : proceedings of the El Escorial summer school held at Madrid, Spain, 15-19 July 1996
af: Sierra, Germán, 19..-

Sensitivity of Functionals with Applications to Engineering Sciences : Proceedings of a Special Session of the American Mathematical Society Spring Meeting held in New York City May 1983

Chimie des Bains pour l'Electrolyse de l'Aluminium : Étude RMN Haute Température et Modélisation
af: Machado, Kelly, 1987-
Udgivet: (2017)

Density functional theory. theory of chemical reactivity
af: Nalewajski, Roman Franciszek, 1947-

Ab initio simulations of neutron stars’ oblique electrospheres with realistic neutron star parameters
af: F. Mottez
Udgivet: (2024)

Mathematical Models and Methods for Ab Initio Quantum Chemistry
af: Defranceschi, Mireille, 1955-, et autres

Ab Initio Language Teaching in British Higher Education
Udgivet: (2023)

Sans père, ou la monoparentalité maternelle ab initio
af: de Vriendt-Goldman, Claire
Udgivet: (2023)

De la forme urbaine à la structure métropolitaine : une typologie de la configuration interne des densités pour les principales métropoles européennes de l’Audit Urbain
af: Le Néchet, Florent
Udgivet: (2015)

Semi-classical collisional functions in a strongly correlated plasma
af: H. Ben Chaouacha, et autres
Udgivet: (2005)

© 2021-2023 • Université d'Orléans, Service Commun de Documentation, 6 rue de Tours, 45072 Orléans cedex 2
+33(0) 2 38 41 71 84 • https://scd.univ-orleans.fr • Mentions légales