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Computational Methods in Lanthanide and Actinide Chemistry

Name: Computational Methods in Lanthanide and Actinide Chemistry
Brand: John Wiley & Sons Inc
SKU: 9781118688311
Price: 917.71 PLN
Availability: InStock

Autor: Michael Dolg

Język:

Oprawa: Twarda

Wydawca: John Wiley & Sons Inc

Dostępność: Dostępna u dostawcy w małych ilościach

Wysyłamy za 11-15 dni

917.71 zł

The f-elements and their compounds often possess an unusually complex electronic structure, governed...

Informacje o książce

Autor

Michael Dolg

Język

Angielski

Oprawa

Książka - Twarda

Data wydania

2015

strony

480

EAN

9781118688311

ISBN

1118688317

Enbook ID

04952114

Wydawca

John Wiley & Sons Inc

Waga

900

Wymiary

272 x 179 x 28

Pełny opis

The f-elements and their compounds often possess an unusually complex electronic structure, governed by the high number of electronic states arising from open f-shells as well as large relativistic and electron correlation effects. A correct theoretical description of these elements poses the highest challenges to theory."Computational Methods in Lanthanide and Actinide Chemistry" summarizes state-of-the-art electronic structure methods applicable for quantum chemical calculations of lanthanide and actinide systems and presents a broad overview of their most recent applications to atoms, molecules and solids. The book contains sixteen chapters, written by leading experts in method development as well as in theoretical investigations of f-element systems.Topics covered include: - Relativistic configuration interaction calculations for lanthanide and actinide anions- Study of actinides by relativistic coupled cluster methods- Relativistic all-electron approaches to the study of f- element chemistry- Relativistic pseudopotentials and their applications- Gaussian basis sets for lanthanide and actinide elements- Applied computational actinide chemistryThis book will serve as a comprehensive reference work for quantum chemists and computational chemists, both those already working in, and those planning to enter the field of quantum chemistry for f-elements. Experimentalists will also find important information concerning the capabilities of modern quantum chemical methods to assist in the interpretation or even to predict the outcome of their experiments.