Computational Methods in Lanthanide and Actinide Chemistry

Nonfiction, Science & Nature, Science, Chemistry, Physical & Theoretical
Cover of the book Computational Methods in Lanthanide and Actinide Chemistry by , Wiley
View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart
Author: ISBN: 9781118688281
Publisher: Wiley Publication: February 17, 2015
Imprint: Wiley Language: English
Author:
ISBN: 9781118688281
Publisher: Wiley
Publication: February 17, 2015
Imprint: Wiley
Language: English

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 chemistry

This 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.

View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart

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:

This 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.

More books from Wiley

Cover of the book Terrestrial Water Cycle and Climate Change by
Cover of the book SilverStripe by
Cover of the book Iron Curtains by
Cover of the book Power Systems Signal Processing for Smart Grids by
Cover of the book Exemplary Performance by
Cover of the book Office 2013 Bible e-Book Library by
Cover of the book World City by
Cover of the book Weight Management by
Cover of the book Chemie Aufgabensammlung für Dummies by
Cover of the book Human Resources Kit For Dummies by
Cover of the book The Art of Coaching Teams by
Cover of the book Veterinary Hematology by
Cover of the book Applied Linguistics by
Cover of the book Mediated Cosmopolitanism by
Cover of the book Postcolonial Studies by
We use our own "cookies" and third party cookies to improve services and to see statistical information. By using this website, you agree to our Privacy Policy