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Elementary Methods of Molecular Quantum Mechanics shows the methods of molecular quantum mechanics for graduate University students of Chemistry and Physics. This readable book teaches in detail the mathematical methods needed to do working applications in molecular quantum mechanics, as a preliminary step before using commercial programmes doing quantum chemistry calculations. This book aims to bridge the gap between the classic Coulsons Valence, where application of wave mechanical principles to valence theory is presented in a fully non-mathematical way, and McWeenys Methods of Molecular Quantum Mechanics, where recent advances in the application of quantum mechanical methods to molecular problems are presented at a research level in a full mathematical way. Many examples and mathematical points are given as problems at the end of each chapter, with a hint for their solution. Solutions are then worked out in detail in the last section of each Chapter. * Uses clear and simplified examples to demonstrate the methods of molecular quantum mechanics * Simplifies all mathematical formulae for the reader * Provides educational training in basic methodology.

Quantum chemistry

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Monte Carlo method --- Quantum chemistry --- Quantum theory

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Ideas of Quantum Chemistry shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. The structure of the book (a TREE-form) emphasizes the logical relationships between various topics, facts and methods. It shows the reader which parts of the text are needed for understanding specific aspects of the subject matter. Interspersed throughout the text are short biographies of key scientists and their contributions to the development of the field.Ideas of Quantum Chemistry has both textbook and reference work aspects. Like a textbook, the materi

Quantum chemistry --- Quantum chemistry. --- Chemistry, Physical and theoretical. --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Chemistry --- Chemistry, Quantum --- Chemistry, Physical and theoretical --- Quantum theory --- Excited state chemistry --- Acqui 2006

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This book introduces relativistic methods in quantum chemistry to non-experts and students. Its five sections cover classical relativity background; the Dirac equation; four-component methods, including symmetry, correlation, and properties; approximate methods, including perturbation theory, transformed Hamiltonians, regular approximations, matrix approximations, and pseudopotential methods; and an overview of relativistic effects on bonding.

Quantum chemistry. --- Quantum field theory. --- Relativistic quantum field theory --- Field theory (Physics) --- Quantum theory --- Relativity (Physics) --- Chemistry, Quantum --- Chemistry, Physical and theoretical --- Excited state chemistry

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This book offers a look into the field of Quantum Mechanics with respect to orbital perturbations at the atomic level. It takes the approach of studying perturbations in a more simplified fashion. "Orbital Frontiers" deals with the common problems associated with the nature of atomic uncertainties and reactions. It is presented in a simple and readable format. This book is intended for non-theoreticians and graduate students.

Molecular orbitals. --- Reactivity (Chemistry) --- Perturbation (Quantum dynamics) --- Chemical reaction, Conditions and laws of --- Chemical reactions --- Orbitals, Molecular --- Chemical bonds --- Electrons --- Molecules --- Overlap integral --- Quantum chemistry --- Valence (Theoretical chemistry) --- Wave mechanics --- Perturbation theory, Quantum mechanical --- Perturbation (Mathematics) --- Quantum theory