Second Quantization-Based Methods in Quantum Chemistry - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Second Quantization-Based Methods in Quantum Chemistry write by Poul Joergensen. This book was released on 2012-12-02. Second Quantization-Based Methods in Quantum Chemistry available in PDF, EPUB and Kindle. Second Quantization-Based Methods in Quantum Chemistry presents several modern quantum chemical tools that are being applied to electronic states of atoms and molecules. Organized into six chapters, the book emphasizes the quantum chemical methods whose developments and implementations have been presented in the language of second quantization. The opening chapter of the book examines the representation of the electronic Hamiltonian, other quantum-mechanical operators, and state vectors in the second-quantization language. This chapter also describes the unitary transformations among orthonormal orbitals in an especially convenient manner. In subsequent chapters, various tools of second quantization are used to describe many approximation techniques, such as Hartree-Fock, perturbation theory, configuration interaction, multiconfigurational Hartree-Fock, cluster methods, and Green’s function. This book is an invaluable source for researchers in quantum chemistry and for graduate-level students who have already taken introductory courses that cover the fundamentals of quantum mechanics through the Hartree-Fock method as applied to atoms and molecules.
Second Quantized Approach to Quantum Chemistry
Second Quantized Approach to Quantum Chemistry - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Second Quantized Approach to Quantum Chemistry write by Peter R. Surjan. This book was released on 2012-12-06. Second Quantized Approach to Quantum Chemistry available in PDF, EPUB and Kindle. The aim of this book is to give a simple, short, and elementary introduction to the second quantized formalism as applied to a many-electron system. It is intended for those, mainly chemists, who are familiar with traditional quantum chemistry but have not yet become acquainted with second quantization. The treatment is, in part, based on a series of seminars held by the author on the subject. It has been realized that many quantum chemists either interested in theory or in applications, being educated as chemi~ts and not as physicists, have never devoted themselves to taking a course on the second quantized approach. Most available textbooks on this topic are not very easy to follow for those who are not trained in theory, or they are not detailed enough to offer a comprehensive treatment. At the same time there are several papers in quantum chemical literature which take advantage of using second quantization, and it would be worthwhile if those papers were accessible for a wider reading public. For this reason, it is intended in this survey to review the basic formalism of second quantization, and to treat some selected chapters of quantum chemistry in this language. Most derivations will be carried out in a detailed manner, so the reader need not accept gaps to understand the result.
Quantum Chemistry in Biomedical Sciences
Quantum Chemistry in Biomedical Sciences - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Quantum Chemistry in Biomedical Sciences write by Harel Weinstein. This book was released on 1981. Quantum Chemistry in Biomedical Sciences available in PDF, EPUB and Kindle.
Molecular Electronic-Structure Theory
Molecular Electronic-Structure Theory - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Molecular Electronic-Structure Theory write by Trygve Helgaker. This book was released on 2014-08-11. Molecular Electronic-Structure Theory available in PDF, EPUB and Kindle. Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous quantum-mechanical methods. This is the first comprehensive, up-to-date and technical work to cover all the important aspects of modern molecular electronic-structure theory. Topics covered in the book include: * Second quantization with spin adaptation * Gaussian basis sets and molecular-integral evaluation * Hartree-Fock theory * Configuration-interaction and multi-configurational self-consistent theory * Coupled-cluster theory for ground and excited states * Perturbation theory for single- and multi-configurational states * Linear-scaling techniques and the fast multipole method * Explicity correlated wave functions * Basis-set convergence and extrapolation * Calibration and benchmarking of computational methods, with applications to moelcular equilibrium structure, atomization energies and reaction enthalpies. Molecular Electronic-Structure Theory makes extensive use of numerical examples, designed to illustrate the strengths and weaknesses of each method treated. In addition, statements about the usefulness and deficiencies of the various methods are supported by actual examples, not just model calculations. Problems and exercises are provided at the end of each chapter, complete with hints and solutions. This book is a must for researchers in the field of quantum chemistry as well as for nonspecialists who wish to acquire a thorough understanding of ab initio molecular electronic-structure theory and its applications to problems in chemistry and physics. It is also highly recommended for the teaching of graduates and advanced undergraduates.
The Method of Second Quantization
The Method of Second Quantization - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook The Method of Second Quantization write by F.A. Berazin. This book was released on 2012-12-02. The Method of Second Quantization available in PDF, EPUB and Kindle. The Method of Second Quantization deals with the method of second quantization and its use to solve problems of quantum mechanics involving an indefinite number of particles, mainly in field theory and quantum statistics. Topics covered include operations on generating functionals; linear canonical transformations; quadratic operators; and Thirring's four-fermion model. State spaces and the simplest operators are also described. This book is comprised of four chapters and begins with an overview of the method of second quantization and the relevant notations. The first chapter focuses on the connections between vectors and functionals and between operators and functionals, together with fundamental rules for operating on functionals. The reader is then introduced to the so-called quadratic operators and the linear canonical transformations closely connected with them. Quadratic operators reduced and not reduced to normal form are considered. The final chapter discusses the Thirring model, the simplest relativistically invariant model in quantum field theory, and explains why it includes infinities. This monograph will be of value to students and practitioners of mathematical physics.
