Quantal Density Functional Theory II : Approximation Methods and Applications
This book is on approximation methods and applications of Quantal Density Functional Theory (QDFT), a new local effective-potential-energy theory of electronic structure. What distinguishes the theory from traditional density functional theory is that the electron correlations due to the Pauli exclu...
Enregistré dans:
| Hovedforfatter: | |
|---|---|
| Format: | Livre numérique |
| Sprog: | Anglais |
| Udgivet: |
Berlin, Heidelberg :
Springer Berlin Heidelberg
[20..].
Cham : Springer Nature |
| Udgivelse: | 1st ed. 2009. |
| 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: | • Quantal density functional theory, II, approximation methods and applications, Virahnt Sahni, Heidelberg, Springer Verlag, 2010, 1 vol. (XVIII-426 p.), 978-3-540-92228-5 |
| LEADER | 04085nam a22003137a 4500 | ||
|---|---|---|---|
| 001 | 941960 | ||
| 008 | 100125q2000 xx ||| |||| 00| 0 eng d | ||
| 009 | PPN139957995 | ||
| 020 | |a 9783540922292 | ||
| 041 | 0 | |a eng | |
| 082 | |a 530.1 | ||
| 100 | 1 | |a Sahni, Viraht, |d 1944- | |
| 245 | 1 | 0 | |a Quantal Density Functional Theory II : |b Approximation Methods and Applications |c by Viraht Sahni. |
| 250 | |a 1st ed. 2009. | ||
| 260 | |a Berlin, Heidelberg : |b Springer Berlin Heidelberg. | ||
| 260 | |a Cham : |b Springer Nature, |c [20..]. | ||
| 500 | |a Archives Springer e-books (Licence nationale) | ||
| 500 | |a Archives Springer e-books (Licence nationale) | ||
| 505 | 1 | |a Schrödinger Theory from a Newtonian Perspective Quantal Density Functional Theory New Perspectives on Hohenberg Kohn Sham Density Functional Theory Nonuniqueness of the Effective Potential Energy and Wave Function in Quantal Density Functional Theory Approximations Within Quantal Density Functional Theory Analytical Asymptotic Structure in the Classically Forbidden Region of Atoms Analytical Asymptotic Structure At and Near the Nucleus of Atoms Application of the Q-DFT Hartree Uncorrelated Approximation to Atoms Application of the Q-DFT Pauli Correlated Approximation to Atoms and Negative Ions Quantal Density Functional Theory of the Density Amplitude: Application to Atoms Application of the Irrotational Component Approximation to Nonspherical Density Atoms Application of Q-DFT to Atoms in Excited States Application of the Multi-Component Q-DFT Pauli Approximation to the Anion Positron Complex: Energies, Positron and Positronium Affinities Application of the Q-DFT Fully Correlated Approximation to the Helium Atom Application of the Q-DFT Fully Correlated Approximation to the Hydrogen Molecule Application of Q-DFT to the Metal Vacuum Interface Many-Body and Pseudo Mùller-Plesset Perturbation Theory within Quantal Density Functional Theory Epilogue | |
| 506 | |a Accès en ligne pour les établissements français bénéficiaires des licences nationales | ||
| 506 | |a Accès soumis à abonnement pour tout autre établissement | ||
| 506 | |a Conditions particulières de réutilisation pour les bénéficiaires des licences nationales. https://www.licencesnationales.fr/springer-nature-ebooks-contrat-licence-ln-2017 | ||
| 520 | |a This book is on approximation methods and applications of Quantal Density Functional Theory (QDFT), a new local effective-potential-energy theory of electronic structure. What distinguishes the theory from traditional density functional theory is that the electron correlations due to the Pauli exclusion principle, Coulomb repulsion, and the correlation contribution to the kinetic energy -- the Correlation-Kinetic effects -- are separately and explicitly defined. As such it is possible to study each property of interest as a function of the different electron correlations. Approximations methods based on the incorporation of different electron correlations, as well as a many-body perturbation theory within the context of QDFT, are developed. The applications are to the few-electron inhomogeneous electron gas systems in atoms and molecules, as well as to the many-electron inhomogeneity at metallic surfaces | ||
| 776 | 0 | |0 145419967 |t Quantal density functional theory |h II |i approximation methods and applications |f Virahnt Sahni |c Heidelberg |n Springer Verlag |d 2010 |p 1 vol. (XVIII-426 p.) |z 978-3-540-92228-5 | |
| 856 | 4 | |q PDF |u https://doi.org/10.1007/978-3-540-92229-2 |z Accès sur la plateforme de l'éditeur | |
| 856 | 4 | |u https://revue-sommaire.istex.fr/ark:/67375/8Q1-0WQLWHZB-J |z Accès sur la plateforme Istex | |
| 856 | 4 | |5 452349901:747841535 |u https://ezproxy.univ-orleans.fr/login?url=https://dx.doi.org/10.1007/978-3-540-92229-2 |z Accès Université d'Orléans | |
| 856 | 4 | |5 180339901:750859083 |u https://ezproxy.insa-cvl.fr/login?qurl=https://dx.doi.org/10.1007/978-3-540-92229-2 |z Accès INSA CVL | |
| 997 | |0 941960 |1 Livre numérique |a Ressource numérique |b INSA |b ENSA |c 0/Bibliothèque numérique/ |c 1/Bibliothèque numérique/Autre ressource numérique/ | ||