Computational Methods in Lanthanide and Actinide Chemistry 1st Edition by Michael Dolg ISBN 1118688287 9781118688281
Original price was: $50.00.$35.00Current price is: $35.00.
Computational Methods in Lanthanide and Actinide Chemistry 1st Edition by Michael Dolg – Ebook PDF Instant Download/Delivery: 1118688287, 9781118688281
Full download Computational Methods in Lanthanide and Actinide Chemistry 1st Edition after payment
Product details:
ISBN 10: 1118688287
ISBN 13: 9781118688281
Author: Michael Dolg
Computational Methods in Lanthanide and Actinide Chemistry 1st Edition: 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.
Computational Methods in Lanthanide and Actinide Chemistry 1st Edition Table of contents:
CHAPTER 1
Relativistic Configuration Interaction Calculations for Lanthanide and Actinide Anions
CHAPTER 2
Study of Actinides by Relativistic Coupled Cluster Methods
CHAPTER 3
Relativistic All-Electron Approaches to the Study of f Element Chemistry
CHAPTER 4
Low-Lying Excited States of Lanthanide Diatomics Studied by Four-Component Relativistic Configuration Interaction Methods
CHAPTER 5
The Complete-Active-Space Self-Consistent-Field Approach and Its Application to Molecular Complexes of the f-Elements
CHAPTER 6
Relativistic Pseudopotentials and Their Applications
CHAPTER 7
Error-Balanced Segmented Contracted Gaussian Basis Sets: A Concept and Its Extension to the Lanthanides
CHAPTER 8
Gaussian Basis Sets for Lanthanide and Actinide Elements: Strategies for Their Development and Use
CHAPTER 9
4f, 5d, 6s, and Impurity-Trapped Exciton States of Lanthanides in Solids
CHAPTER 10
Judd-Ofelt Theory — The Golden (and the Only One) Theoretical Tool of f-Electron Spectroscopy
CHAPTER 11
Applied Computational Actinide Chemistry
CHAPTER 12
Computational Tools for Predictive Modeling of Properties in Complex Actinide Systems
CHAPTER 13
Theoretical Treatment of the Redox Chemistry of Low Valent Lanthanide and Actinide Complexes
CHAPTER 14
Computational Studies of Bonding and Reactivity in Actinide Molecular Complexes
CHAPTER 15
The 32-Electron Principle: A New Magic Number
CHAPTER 16
Shell Structure, Relativistic and Electron Correlation Effects in f Elements and Their Importance for Cerium(III)-based Molecular Kondo Systems
People also search for Computational Methods in Lanthanide and Actinide Chemistry 1st Edition:
which lanthanide is most commonly used
write a note on lanthanide contraction
what is lanthanide concentration
lanthanide coordination chemistry
lanthanide chemistry
Tags:
Michael Dolg,Computational,Methods,Lanthanide,Actinide,Chemistry