Basis Sets in Computational Chemistry -
- Format: Broché Voir le descriptif
Vous en avez un à vendre ?
Vendez-le-vôtre190,87 €
Produit Neuf
Ou 47,72 € /mois
- Livraison : 3,99 €
- Livré entre le 30 juillet et le 5 août
Nos autres offres
-
194,86 €
Produit Neuf
Ou 48,72 € /mois
- Livraison à 0,01 €
- Livré entre le 31 juillet et le 12 août
Brand new, In English, Fast shipping from London, UK; Tout neuf, en anglais, expédition rapide depuis Londres, Royaume-Uni;ria9783030672645_dbm
Voir le détail de l'annonce
- Payez directement sur Rakuten (CB, PayPal, 4xCB...)
- Récupérez le produit directement chez le vendeur
- Rakuten vous rembourse en cas de problème
Gratuit et sans engagement
Félicitations !
Nous sommes heureux de vous compter parmi nos membres du Club Rakuten !
TROUVER UN MAGASIN
Retour
Avis sur Basis Sets In Computational Chemistry de Format Broché - Livre Physique - Chimie
0 avis sur Basis Sets In Computational Chemistry de Format Broché - Livre Physique - Chimie
Les avis publiés font l'objet d'un contrôle automatisé de Rakuten.
-
Car Racing 1968
2 avis
Neuf dès 109,00 €
-
Quantum Chemistry, 2nd Edition
1 avis
Neuf dès 199,48 €
-
By Marc Pairon Art Deco Ceramics Made In Belgium: Charles Catteau
6 avis
Occasion dès 110,00 €
-
An American Odyssey - Photos From The Detroit Photographic Compagny 1888-1924
Occasion dès 114,00 €
-
Just Enough Software Architecture: A Risk-Driven Approach
Occasion dès 119,99 €
-
Indian Jewelry Making Volume 1
Occasion dès 110,00 €
-
Argentina Ruta 40
Occasion dès 99,00 €
-
Pete Townshend: Who I Am
Neuf dès 127,99 €
-
Art Of Merit: Studies In Buddhist Art And Its Conservation
Neuf dès 284,14 €
-
The New Munsell Student Color Set
Neuf dès 125,62 €
-
Vouet: Grand Palais 6 Novembre 1990 11 Février 1991
Occasion dès 150,00 €
-
St - Tropez Soleil
1 avis
Neuf dès 105,00 €
-
Jouef : Les Petits Trains De Notre Enfance
1 avis
Occasion dès 115,00 €
-
Paolo Roversi Livre Nudi
2 avis
Occasion dès 175,00 €
-
Car Racing 1965
2 avis
Neuf dès 109,00 €
-
Oxford Resources For Ib Dp Chemistry: Course Book
Neuf dès 102,33 €
-
Imagine Too!
1 avis
Neuf dès 191,68 €
-
Seamanship In The Age Of Sail
Occasion dès 215,00 €
-
Gilbert Portanier
Neuf dès 141,34 €
-
Les Troubadours - Anthologie Bilingue - Jacques Roubaud
Occasion dès 130,00 €
Produits similaires
Présentation Basis Sets In Computational Chemistry de Format Broché
- Livre Physique - Chimie
Résumé :
This book addresses the construction and application of the major types of basis sets for computational chemistry calculations. In addition to a general introduction, it includes mathematical basics and a discussion of errors arising from incomplete or inappropriate basis sets. The different chapters introduce local orbitals and orbital localization as well as Slater-type orbitals and review basis sets for special applications, such as those for correlated methods, solid-state calculations, heavy atoms and time-dependent adaptable Gaussian bases for quantum dynamics simulations. This detailed review of the purpose of basis sets, their design, applications, possible problems and available solutions provides graduate students and beginning researchers with information not easily obtained from the available textbooks and offers valuable supporting material for any quantum chemistry or computational chemistry course at the graduate and/or undergraduate level. This book is also useful asa guide for researchers who are new to computational chemistry but are willing to extend their research tools by applying such methods. ...
Biographie: Eva Perlt studied chemistry in Leipzig and received her Ph.D. in the group of Barbara Kirchner in 2011 working in the field of statistical thermodynamics as well as basis sets for ab initio molecular dynamics simulations. Since 2018, Eva Perlt has been a postdoctoral researcher in the group of Filipp U. Furche at the University of California, Irvine. Her research focus changed to the investigation of nuclear quantum effects and Beyond Born-Oppenheimer approaches. She deals with non-adiabatic molecular dynamics to investigate photochemical processes. Additionally, she is working on the development of nuclear wavefunction methods to treat light nuclei as quantum particles. In 2015, she was awarded the Sigrid Peyerimhoff prize for young scientists.
Sommaire:
An introduction to discretization error analysis for computational chemists.- Basis Sets for Correlated Methods.- Gaussian Basis Sets for Solid State Calculations.- Basis Sets for Heavy Atoms.- Adaptable Gaussian Bases for Quantum Dynamics of the Nuclei....
Détails de conformité du produit
Personne responsable dans l'UE