Principles Of Quantum Chemistry
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| Author | : V.P. Gupta |
| Publisher | : Academic Press |
| Total Pages | : 480 |
| Release | : 2015-10-15 |
| Genre | : Science |
| ISBN | : 0128035013 |
Download Principles and Applications of Quantum Chemistry Book in PDF, Epub and Kindle
Principles and Applications of Quantum Chemistry offers clear and simple coverage based on the author’s extensive teaching at advanced universities around the globe. Where needed, derivations are detailed in an easy-to-follow manner so that you will understand the physical and mathematical aspects of quantum chemistry and molecular electronic structure. Building on this foundation, this book then explores applications, using illustrative examples to demonstrate the use of quantum chemical tools in research problems. Each chapter also uses innovative problems and bibliographic references to guide you, and throughout the book chapters cover important advances in the field including: Density functional theory (DFT) and time-dependent DFT (TD-DFT), characterization of chemical reactions, prediction of molecular geometry, molecular electrostatic potential, and quantum theory of atoms in molecules. Simplified mathematical content and derivations for reader understanding Useful overview of advances in the field such as Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) Accessible level for students and researchers interested in the use of quantum chemistry tools
| Author | : Jochen Autschbach |
| Publisher | : Oxford University Press, USA |
| Total Pages | : 756 |
| Release | : 2020-09-17 |
| Genre | : Science |
| ISBN | : 0190920807 |
Download Quantum Theory for Chemical Applications Book in PDF, Epub and Kindle
"Quantum Theory for Chemical Applications (QTCA) Quantum theory, or more specifically, quantum mechanics is endlessly fascinating, curious & strange, and often considered to be difficult to learn. It is true that quantum mechanics is a mathematical theory. Its scope, its predictions, the wisdom we gain from its results, all these become fully clear only in the context of the relevant equations and calculations. But the study of quantum mechanics is definitely worth the effort, and - as I like to tell my students- it is not rocket science"--
| Author | : Paul Adrien Maurice Dirac |
| Publisher | : Oxford University Press |
| Total Pages | : 340 |
| Release | : 1981 |
| Genre | : Science |
| ISBN | : 9780198520115 |
Download The Principles of Quantum Mechanics Book in PDF, Epub and Kindle
The first edition of this work appeared in 1930, and its originality won it immediate recognition as a classic of modern physical theory. The fourth edition has been bought out to meet a continued demand. Some improvements have been made, the main one being the complete rewriting of the chapter on quantum electrodymanics, to bring in electron-pair creation. This makes it suitable as an introduction to recent works on quantum field theories.
| Author | : Linus Pauling |
| Publisher | : Courier Corporation |
| Total Pages | : 500 |
| Release | : 2012-06-08 |
| Genre | : Science |
| ISBN | : 0486134938 |
Download Introduction to Quantum Mechanics with Applications to Chemistry Book in PDF, Epub and Kindle
Classic undergraduate text explores wave functions for the hydrogen atom, perturbation theory, the Pauli exclusion principle, and the structure of simple and complex molecules. Numerous tables and figures.
| Author | : Robert A. Evarestov |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 559 |
| Release | : 2007-08-16 |
| Genre | : Science |
| ISBN | : 3540487484 |
Download Quantum Chemistry of Solids Book in PDF, Epub and Kindle
This book delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems. The first part describes the basic theory underlying the LCAO methods applied to periodic systems and the use of wave-function-based, density-based (DFT) and hybrid hamiltonians. The second part deals with the applications of LCAO methods for calculations of bulk crystal properties.
| Author | : Ram Yatan Prasad |
| Publisher | : CRC Press |
| Total Pages | : 715 |
| Release | : 2021-03-10 |
| Genre | : Science |
| ISBN | : 100034469X |
Download Computational Quantum Chemistry Book in PDF, Epub and Kindle
Computational Quantum Chemistry, Second Edition, is an extremely useful tool for teaching and research alike. It stipulates information in an accessible manner for scientific investigators, researchers and entrepreneurs. The book supplies an overview of the field and explains the fundamental underlying principles. It also gives the knowledge of numerous comparisons of different methods. The book consists of a wider range of applications in each chapter. It also provides a number of references which will be useful for academic and industrial researchers. It includes a large number of worked-out examples and unsolved problems for enhancing the computational skill of the users. Features Includes comprehensive coverage of most essential basic concepts Achieves greater clarity with improved planning of topics and is reader-friendly Deals with the mathematical techniques which will help readers to more efficient problem solving Explains a structured approach for mathematical derivations A reference book for academicians and scientific investigators Ram Yatan Prasad, PhD, DSc (India), DSc (hc) Colombo, is a Professor of Chemistry and former Vice Chancellor of S.K.M University, Jharkhand, India. Pranita, PhD, DSc (hc) Sri Lanka, FICS, is an Assistant Professor of Chemistry at Vinoba Bhave University, India.
| Author | : Raphael D. Levine |
| Publisher | : Courier Corporation |
| Total Pages | : 351 |
| Release | : 2011-11-30 |
| Genre | : Science |
| ISBN | : 048615064X |
Download Quantum Mechanics of Molecular Rate Processes Book in PDF, Epub and Kindle
This survey of applications of the theory of collisions and rate processes to molecular problems explores collisions of molecules with internal structure, generalized Ehrenfest theorem, theory of reactive collisions, and role of symmetry. It also reviews partitioning technique, equivalent potentials and quasibound states, theory of direct reactions, more. 1969 edition.
| Author | : Walter Kauzmann |
| Publisher | : Elsevier |
| Total Pages | : 757 |
| Release | : 2013-10-22 |
| Genre | : Science |
| ISBN | : 1483270807 |
Download Quantum Chemistry Book in PDF, Epub and Kindle
Quantum Chemistry: An Introduction provides information pertinent to the fundamental aspects of quantum mechanics. This book presents the theory of partial differentiation equations by using the classical theory of vibrations as a means of developing physical insight into this essential branch of mathematics. Organized into five parts encompassing 16 chapters, this book begins with an overview of how quantum mechanical deductions are made. This text then describes the achievements and limitations of the application of quantum mechanics to chemical problems. Other chapters provide a brief survey of some essential properties of the associated Legendre functions. The final chapter deals with the Franck-Condon principle, which states that transitions tend to occur between vibrational levels of two different electronic states for which either the minimum or maximum values of the internuclear distance in the potential energy diagram occur with the same nuclear configuration. This book is a valuable resource for chemists.
| Author | : R. Shankar |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 676 |
| Release | : 2012-12-06 |
| Genre | : Science |
| ISBN | : 147570576X |
Download Principles of Quantum Mechanics Book in PDF, Epub and Kindle
R. Shankar has introduced major additions and updated key presentations in this second edition of Principles of Quantum Mechanics. New features of this innovative text include an entirely rewritten mathematical introduction, a discussion of Time-reversal invariance, and extensive coverage of a variety of path integrals and their applications. Additional highlights include: - Clear, accessible treatment of underlying mathematics - A review of Newtonian, Lagrangian, and Hamiltonian mechanics - Student understanding of quantum theory is enhanced by separate treatment of mathematical theorems and physical postulates - Unsurpassed coverage of path integrals and their relevance in contemporary physics The requisite text for advanced undergraduate- and graduate-level students, Principles of Quantum Mechanics, Second Edition is fully referenced and is supported by many exercises and solutions. The book’s self-contained chapters also make it suitable for independent study as well as for courses in applied disciplines.
| Author | : Derek F. Lawden |
| Publisher | : Courier Corporation |
| Total Pages | : 306 |
| Release | : 2005-01-01 |
| Genre | : Science |
| ISBN | : 0486442233 |
Download The Mathematical Principles of Quantum Mechanics Book in PDF, Epub and Kindle
Focusing on the principles of quantum mechanics, this text for upper-level undergraduates and graduate students introduces and resolves special physical problems with more than 100 exercises. 1967 edition.
