Practical Aspects of Computational Chemistry. An Overview of the Last Two Decades and Current Trends I :
Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends gathers the advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title itself reflects the celebration of the twentie...
Salvato in:
| Altri autori: | , |
|---|---|
| Natura: | Livre numérique |
| Lingua: | Anglais |
| Pubblicazione: |
Dordrecht :
Springer Netherlands
[20..].
Cham : Springer Nature |
| Accesso online: | Accès sur la plateforme de l'éditeur Accès sur la plateforme Istex Accès Université d'Orléans Accès INSA CVL |
| Nota: |
Archives Springer e-books (Licence nationale) Archives Springer e-books (Licence nationale) |
| Autres localisations: | Voir dans le Sudoc |
| Edition sous un autre format: | • Practical Aspects of Computational Chemistry I, Texte imprimé, 9789400709188 |
Sommario:
- Models experiment computation: a history of ideas in structural chemistry Many-Body Brillouin-Wigner Theories: Development and Prospects Multireference state-specific coupled cluster theory with a complete active space reference Relativistic effects in chemistry and a two-Component theory On the electronic, vibrational and relativistic contributions to the linear and nonlinear optical properties of molecules Using Chebyshev-Filtered Subspace Iteration and Windowing Methods to Solve the Kohn-Sham Problem Electronic structure of solids and surfaces with WIEN2k Model core potential method in the first decade of the XXI century Practical Aspects of Quantum Monte Carlo for the Electronic Structure of Molecules Relativistic Quantum Monte Carlo Method Computer Aided Nanomaterials Design Selfassembly, Nanooptics, Molecular electronics/spintronics, and Fast DNA sequencing Computational Molecular Engineering for Nanodevices and Nanosystems Theoretical Studies of Thymine-Thymine Photodimerization: Using Ground State Dynamics to Model Photoreaction