Linear-Scaling Techniques in Computational Chemistry and Physics : Methods and Applications
Computational chemistry methods have become increasingly important in recent years, as manifested by their rapidly extending applications in a large number of diverse fields. The ever-increasing size of the systems one wants to study leads to the development and application of methods, which provide...
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| Tác giả khác: | , , , |
|---|---|
| Định dạng: | Livre numérique |
| Ngôn ngữ: | Anglais |
| Được phát hành: |
Dordrecht :
Springer Netherlands
[20..].
Cham : Springer Nature |
| Phiên bản: | 1st ed. 2011. |
| Loạt: | Challenges and Advances in Computational Chemistry and Physics
13 |
| Truy cập trực tuyến: | Accès sur la plateforme de l'éditeur Accès sur la plateforme Istex Accès Université d'Orléans Accès INSA CVL |
| Chú thích: |
Archives Springer e-books (Licence nationale) Archives Springer e-books (Licence nationale) |
| Autres localisations: | Voir dans le Sudoc |
| Edition sous un autre format: | • Linear-Scaling Techniques in Computational Chemistry and Physics, Texte imprimé, 9789048128525 |
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| 082 | |a 541.2 | ||
| 245 | 0 | 0 | |a Linear-Scaling Techniques in Computational Chemistry and Physics : |b Methods and Applications |c edited by Robert Zalesny, Manthos G. Papadopoulos, Paul G. Mezey, Jerzy Leszczynski. |
| 250 | |a 1st ed. 2011. | ||
| 260 | |a Dordrecht : |b Springer Netherlands. | ||
| 260 | |a Cham : |b Springer Nature, |c [20..]. | ||
| 490 | 0 | |a Challenges and Advances in Computational Chemistry and Physics |v 13 |x 2542-4483 | |
| 500 | |a Archives Springer e-books (Licence nationale) | ||
| 500 | |a Archives Springer e-books (Licence nationale) | ||
| 505 | 1 | |a Including chapters on: Linear scaling second order Møller Plesset perturbation theory Divide-and-conquer approaches to quantum chemistry: Theory and implementation Mathematical formulation of the fragment molecular orbital method Linear scaling for metallic systems by the Korringa-Kohn-Rostoker multiple-scattering method Density matrix methods in linear scaling electronic structure theory Methods for Hartree-Fock and density functional theory electronic structure calculations with linearly scaling processor time and memory usage Some thoughts on the scope of the linear scaling self-consistent field electrnic structure methods The linear scaling semiempirical localSCF method and the finite LMO approximation Molecular Tailoring: an Art of the Possible for Ab Initio Treatment of Large Molecules and Molecular Clusters Local approximations for an efficient treatment of electron correlation and electron excitations in molecules | |
| 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 Computational chemistry methods have become increasingly important in recent years, as manifested by their rapidly extending applications in a large number of diverse fields. The ever-increasing size of the systems one wants to study leads to the development and application of methods, which provide satisfactory answers at a manageable computational cost. An important variety of computational techniques for large systems are represented by the linear-scaling techniques, that is, by methods where the computational cost scales linearly with the size of the system. This monograph is a collection of chapters, which report the state-of-the-art developments and applications of many important classes of linear-scaling methods. Linear-Scaling Techniques in Computational Chemistry and Physics: Methods and Applications serves as a handbook for theoreticians who are involved in the development of new and efficient computational methods as well as for scientists who use the tools of computational chemistry and physics in their research | ||
| 700 | 1 | |a Zalesny, Robert. |4 edt | |
| 700 | 1 | |a Papadopoulos, Manthos G. |4 edt | |
| 700 | 1 | |a Mezey, Paul G. |4 edt | |
| 700 | 1 | |a Leszczynski, Jerzy, |d 1949- |4 edt | |
| 776 | 0 | |t Linear-Scaling Techniques in Computational Chemistry and Physics |b Texte imprimé |z 9789048128525 | |
| 856 | 4 | |q PDF |u https://doi.org/10.1007/978-90-481-2853-2 |z Accès sur la plateforme de l'éditeur | |
| 856 | 4 | |u https://revue-sommaire.istex.fr/ark:/67375/8Q1-CL05S6KD-4 |z Accès sur la plateforme Istex | |
| 856 | 4 | |5 452349901:750620870 |u https://ezproxy.univ-orleans.fr/login?url=https://dx.doi.org/10.1007/978-90-481-2853-2 |z Accès Université d'Orléans | |
| 856 | 4 | |5 180339901:753978806 |u https://ezproxy.insa-cvl.fr/login?qurl=https://dx.doi.org/10.1007/978-90-481-2853-2 |z Accès INSA CVL | |
| 997 | |0 968404 |1 Livre numérique |a Ressource numérique |b INSA |b ENSA |c 0/Bibliothèque numérique/ |c 1/Bibliothèque numérique/Autre ressource numérique/ | ||