Relativistic Effects in Chemistry Theory and Techniques and Relativistic Effects in Chemistry

Relativistic Effects in Chemistry  Theory and Techniques and Relativistic Effects in Chemistry
Author : Krishnan Balasubramanian
Publisher : Wiley-Interscience
Total Pages : 301
Release : 1997-04-21
ISBN 10 : 047130400X
ISBN 13 : 9780471304005
Language : EN, FR, DE, ES & NL

Relativistic Effects in Chemistry Theory and Techniques and Relativistic Effects in Chemistry Book Description:

E = mc2 and the Periodic Table . . . RELATIVISTIC EFFECTS IN CHEMISTRY This century's most famous equation, Einstein's special theory of relativity, transformed our comprehension of the nature of time and matter. Today, making use of the theory in a relativistic analysis of heavy molecules, that is, computing the properties and nature of electrons, is the work of chemists intent on exploring the mysteries of minute particles. The first work of its kind, Relativistic Effects in Chemistry details the computational and analytical methods used in studying the relativistic effects in chemical bonding as well as the spectroscopic properties of molecules containing very heavy atoms. The first of two independent volumes, Part A: Theory and Techniques describes the basic techniques of relativistic quantum chemistry. Its systematic five-part format begins with a detailed exposition of Einstein's special theory of relativity, the significance of relativity in chemistry, and the nature of relativistic effects, especially with molecules containing both main group atoms and transition metal atoms. Chapter 3 discusses the fundamentals of relativistic quantum mechanics starting from the Klein-Gordon equation through such advanced constructs as the Breit-Pauli and Dirac multielectron Hamiltonian. Modern computational techniques, of importance with problems involving very heavy molecules, are outlined in Chapter 4. These include the relativistic effective core potentials, ab initio CASSCF, CI, and RCI techniques. Chapter 5 describes relativistic symmetry using the double group symmetry of molecules and the classification of relativistic electronic states and is of special importance to chemists or spectroscopists interested in computing or analyzing electronic states of molecules containing very heavy atoms. An exceptional introduction to one of chemistry's foremost analytical techniques, Relativistic Effects in Chemistry is also evidence of the still unending reverberations of Einstein's revolutionary theory.


RELATED BOOKS:
Relativistic Effects in Chemistry, Theory and Techniques and Relativistic Effects in Chemistry
Language: en
Pages: 301
Authors: Krishnan Balasubramanian
Categories: Science
Type: BOOK - Published: 1997-04-21 - Publisher: Wiley-Interscience

E = mc2 and the Periodic Table . . . RELATIVISTIC EFFECTS IN CHEMISTRY This century's most famous equation, Einstein's special theory of relativity, transformed our comprehension of the nature of time and matter. Today, making use of the theory in a relativistic analysis of heavy molecules, that is, computing
Methods in Computational Chemistry
Language: en
Pages: 306
Authors: Stephen Wilson
Categories: Science
Type: BOOK - Published: 2013-11-11 - Publisher: Springer Science & Business Media

Thisvolume isdevotedtomethodsfor thestudyoftheeffectsofrelativity on theelectronicstructure ofatomsand molecules. The accurate descrip tionofrelativisticeffectsinheavyatomshaslongbeenrecognizedasoneof the central problems ofatomic physics. Contemporary relativistic atomic structure calculations can be performed almost routinely. Recent years have seen agrowinginterestin thestudyoftheeffects ofrelativityon the structureofmolecules. Even for molecularsystemscontainingatoms from thesecondrowoftheperiodictable theenergyassociatedwith relativistic effects is often larger than that arising from
Relativistic Effects in Atoms, Molecules, and Solids
Language: en
Pages: 543
Authors: G.L. Malli
Categories: Science
Type: BOOK - Published: 2012-12-06 - Publisher: Springer Science & Business Media

The NATO Advanced Study Institute (ASI) on "Relativistic Effects in Atoms, Molecules and Solids" cosponsored by Simon Fraser University (SFU) and Natural Sciences and Engineering Research Council of Canada (NSERC) was held at the University of British Columbia (UBC) , Van couver, Canada from August 10th until August 21st, 1981.
Relativistic Electronic Structure Theory
Language: en
Pages: 804
Authors: G.L. Malli
Categories: Science
Type: BOOK - Published: 2004-03-05 - Publisher: Elsevier

The field of relativistic electronic structure theory is generally not part of theoretical chemistry education, and is therefore not covered in most quantum chemistry textbooks. This is due to the fact that only in the last two decades have we learned about the importance of relativistic effects in the chemistry
Relativistic Effects in Heavy-Element Chemistry and Physics
Language: en
Pages: 307
Authors: Hess
Categories: Science
Type: BOOK - Published: 2003-01-06 - Publisher: John Wiley & Sons

Heavy atoms and their compounds are important in many areas of modern technology. Their versatility in the reactions they undergo is the reason that they can be found in most homogeneous and heterogeneous catalysts. Their magnetism is the decisive property that qualifies them as materials for modern storage devices. The