Perspectives in electronic structure theory
The understanding in science implies insights from several different points of view. Alternative modern outlooks on electronic structure of atoms and molecules, all rooted in quantum mechanics, are presented in a single text. Together these complementary perspectives provide a deeper understanding o...
Đã lưu trong:
| Tác giả chính: | |
|---|---|
| Định dạng: | Livre numérique |
| Ngôn ngữ: | Anglais |
| Được phát hành: |
Berlin, Heidelberg :
Springer Berlin Heidelberg : Imprint: Springer
[20..].
Cham : Springer Nature |
| 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: | • Perspectives in Electronic Structure Theory, Texte imprimé, 9783642201790 |
| LEADER | 03705nam a22003017a 4500 | ||
|---|---|---|---|
| 001 | 958092 | ||
| 008 | 130325q2000 xx ||| |||| 00| 0 eng d | ||
| 009 | PPN168308681 | ||
| 020 | |a 9783642201806 | ||
| 041 | 0 | |a eng | |
| 082 | |a 541.2 | ||
| 100 | 1 | |a Nalewajski, Roman Franciszek, |d 1947- | |
| 245 | 1 | 0 | |a Perspectives in electronic structure theory |c by Roman F. Nalewajski. |
| 260 | |a Berlin, Heidelberg : |b Springer Berlin Heidelberg : |b Imprint: Springer. | ||
| 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 Sources Mathematical apparatus Basic concepts and axioms Hydrogen-like atom Approximating N-electron Schrödinger equation Wave function methods Density-Functional Theory Bonded subsystems and chemical bonds Concepts for chemical reactivity Adiabatic coupling between electronic and geometric structures Elements of information theory Schrödinger equation as information principle Electron probabilities as carriers of information in molecules Bonded atoms from information theory Molecular communication systems Orbital communication theory of the chemical bond "Thermodynamic" description | |
| 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 The understanding in science implies insights from several different points of view. Alternative modern outlooks on electronic structure of atoms and molecules, all rooted in quantum mechanics, are presented in a single text. Together these complementary perspectives provide a deeper understanding of the localization of electrons and bonds, the origins of chemical interaction and reactivity behavior, the interaction between the geometric and electronic structure of molecules, etc. In the opening two parts the basic principles and techniques of the contemporary computational and conceptual quantum chemistry are presented, within both the wave-function and electron-density theories. This background material is followed by a discussion of chemical concepts, including stages of the bond-formation processes, chemical valence and bond-multiplicity indices, the hardness/softness descriptors of molecules and reactants, and general chemical reactivity/stability principles. The insights from Information Theory, the basic elements of which are briefly introduced, including the entropic origins and Orbital Communication Theory of the chemical bond, are the subject of Part IV. The importance of the non-additive (interference) information tools in exploring patterns of chemical bonds and their covalent and ionic components will be emphasized | ||
| 776 | 0 | |t Perspectives in Electronic Structure Theory |b Texte imprimé |z 9783642201790 | |
| 856 | 4 | |q PDF |u https://doi.org/10.1007/978-3-642-20180-6 |z Accès sur la plateforme de l'éditeur | |
| 856 | 4 | |u https://revue-sommaire.istex.fr/ark:/67375/8Q1-X4KBV5C8-2 |z Accès sur la plateforme Istex | |
| 856 | 4 | |5 452349901:749579080 |u https://ezproxy.univ-orleans.fr/login?url=https://doi.org/10.1007/978-3-642-20180-6 |z Accès Université d'Orléans | |
| 856 | 4 | |5 180339901:752327674 |u https://ezproxy.insa-cvl.fr/login?qurl=https://doi.org/10.1007/978-3-642-20180-6 |z Accès INSA CVL | |
| 997 | |0 958092 |1 Livre numérique |a Ressource numérique |b INSA |b ENSA |c 0/Bibliothèque numérique/ |c 1/Bibliothèque numérique/Autre ressource numérique/ | ||