Relativistic Quantum Chemistry : The Fundamental Theory of Molecular Science,...

Description: Relativistic Quantum Chemistry : The Fundamental Theory of Molecular Science, Hardcover by Reiher, Markus; Wolf, Alexander, ISBN 3527334157, ISBN-13 9783527334155, Like New Used, Free P&P in the UK Reiher and Wolf present a second edition of this text on Einstein’s theory of relativity as it applies to chemistry, retaining the objective of connecting physical principles to mathematical manipulations but including new content drawn from recent research, such as Brown-Ravenhall disease, spin in current-density functional theory, exact two-component methods and their local variants. Mathematical foundations of classical and quantum mechanics, electrodynamics, and conceptual treatment of special relativity are covered in part one, leading into a detailed treatment of Dirac’s theory of the electron. The text then tackles the complex calculational methods needed for a four-component many-electron theory. Part three addresses two-component Hamiltonians, discussing negative-energy solutions, Douglas-Kroll-Hess theory, and elimination techniques. The last three chapters apply the mathematics to chemical concepts and calculations, with a substantial portion of the final chapter addressing spin states of the lanthanides and actinides. Appendices present proofs and provide additional explanation of the calculational methods. Annotation ©2015 Ringgold, Inc., Portland, OR ()

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