Recent Advances in Relativistic Molecular Theory

Recent Advances in Relativistic Molecular Theory
Author :
Publisher : World Scientific
Total Pages : 343
Release :
ISBN-10 : 9789812387097
ISBN-13 : 9812387099
Rating : 4/5 (97 Downloads)

Book Synopsis Recent Advances in Relativistic Molecular Theory by : Kimihiko Hirao

Download or read book Recent Advances in Relativistic Molecular Theory written by Kimihiko Hirao and published by World Scientific. This book was released on 2004 with total page 343 pages. Available in PDF, EPUB and Kindle. Book excerpt: Relativistic effects, though minor in light atoms, increase rapidly in magnitude as the atomic number increases. For heavy atom species, it becomes necessary to discard the Schr”dinger equation in favor of the Dirac equation. Construction of an effective many-body Hamiltonian that accurately accounts for both relativistic and electron correlation effects in many-electron systems is a challenge. It is only in the past 20?25 years that relativistic quantum chemistry has emerged as a field of research in its own right, and it seems certain that relativistic many-electron calculations of molecular properties will assume increasing importance in the years ahead as relativistic quantum chemistry finds a wider range of applications.With the increasing use of relativistic quantum chemical techniques in chemistry, there is an obvious need to provide experts' reviews of the methods and algorithms. This volume aims to disseminate aspects of relativistic many-electron theories and their exciting developments by practitioners. Together, the nine chapters provide an in-depth account of the most important topics of contemporary research in relativistic quantum chemistry, ranging from quasirelativistic effective core potential methods to relativistic coupled cluster theory.


Recent Advances in Relativistic Molecular Theory Related Books

Recent Advances in Relativistic Molecular Theory
Language: en
Pages: 343
Authors: Kimihiko Hirao
Categories: Science
Type: BOOK - Published: 2004 - Publisher: World Scientific

DOWNLOAD EBOOK

Relativistic effects, though minor in light atoms, increase rapidly in magnitude as the atomic number increases. For heavy atom species, it becomes necessary to
Relativistic Quantum Chemistry
Language: en
Pages: 692
Authors: Markus Reiher
Categories: Science
Type: BOOK - Published: 2009-05-13 - Publisher: John Wiley & Sons

DOWNLOAD EBOOK

Written by two researchers in the field, this book is a reference to explain the principles and fundamentals in a self-contained, complete and consistent way. M
Recent Advances in the Theory of Chemical and Physical Systems
Language: en
Pages: 586
Authors: Jean-Pierre Julien
Categories: Science
Type: BOOK - Published: 2006-05-05 - Publisher: Springer Science & Business Media

DOWNLOAD EBOOK

Advances in the Theory of Chemical and Physical Systems is a collection of 26 selected papers from the scientific presentations made at the 9th European Worksho
Advanced Molecular Quantum Mechanics
Language: en
Pages: 251
Authors: R. Moss
Categories: Science
Type: BOOK - Published: 2012-12-06 - Publisher: Springer Science & Business Media

DOWNLOAD EBOOK

This book is primarily intended for graduate chemists and chemical physicists. Indeed, it is based on a graduate course that I give in the Chemistry Depart ment
Relativistic Methods for Chemists
Language: en
Pages: 622
Authors: Maria Barysz
Categories: Science
Type: BOOK - Published: 2010-04-15 - Publisher: Springer Science & Business Media

DOWNLOAD EBOOK

“Relativistic Methods for Chemists”, written by a highly qualified team of authors, is targeted at both experimentalists and theoreticians interested in the