Quantum Chemistry, 2nd edition

Quantum Chemistry, 2nd edition

Quantum Chemistry, 2nd edition By Donald A. McQuarrie
2007 | 690 Pages | ISBN: 1891389505 | PDF | 80 MB

Multiconfigurational Quantum Chemistry

Multiconfigurational Quantum Chemistry

Multiconfigurational Quantum Chemistry
Wiley | Quantum Chemistry | Aug 8 2016 | ISBN-10: 0470633468 | 240 pages | pdf | 5.14 mb

by Björn O. Roos (Author), Roland Lindh (Author), Per ?ke Malmqvist (Author), Valera Veryazov (Author), Per-Olof Widmark (Author)

Introduction to Relativistic Quantum Chemistry (Repost)

Introduction to Relativistic Quantum Chemistry (Repost)

Introduction to Relativistic Quantum Chemistry
Stationary Office | Pages: 544 | 2007-03-23 | ISBN: 0195140869 | 3 MB

This book provides an introduction to the essentials of relativistic effects in quantum chemistry, and a reference work that collects all the major developments in this field. It is designed for the graduate student and the computational chemist with a good background in nonrelativistic theory.

Handbook of Relativistic Quantum Chemistry

Handbook of Relativistic Quantum Chemistry

Handbook of Relativistic Quantum Chemistry
SpringerReference | Chemistry | Oct 26 2016 | ISBN-10: 364240765X | 907 pages | pdf | 10.49 mb

Editors: Liu, Wenjian (Ed.)
Comprehensive discussions on relativistic many-electron Hamiltonians
Detailed discussions on the symmetries and analytical structures of relativistic wave functions
Comprehensive review of existing and new scenarios for solving relativistic quantum mechanical equations
Rigorous formulations of relativistic electric and magnetic properties
Self-contained and clear descriptions of underlying assumptions, principles, and methodologies

Fundamentals of Quantum Chemistry: Molecular Spectroscopy and Modern Electronic Structure Computations (repost)

Fundamentals of Quantum Chemistry: Molecular Spectroscopy and Modern Electronic Structure Computations (repost)

Fundamentals of Quantum Chemistry: Molecular Spectroscopy and Modern Electronic Structure Computations by Michael P. Mueller
English | 1 edition | June 28, 2001 | ISBN-10: 0306465965 | 280 pages | PDF | 6 Mb

This text is designed as a practical introduction to quantum chemistry. Quantum chemistry is applied to explain and predict molecular spectroscopy and the electronic structure of atoms and molecules.

Pioneers of Quantum Chemistry (Repost)

Pioneers of Quantum Chemistry (Repost)

Pioneers of Quantum Chemistry By E. Thomas Strom, Angela K. Wilson
2013 | 326 Pages | ISBN: 0841227160 | PDF | 22 MB

A New Dimension to Quantum Chemistry: Analytic Derivative Methods in Ab Initio Molecular Electronic Structure Theory

A New Dimension to Quantum Chemistry: Analytic Derivative Methods in Ab Initio Molecular Electronic Structure Theory

A New Dimension to Quantum Chemistry: Analytic Derivative Methods in Ab Initio Molecular Electronic Structure Theory by Yukio Yamaguchi, John D. Goddard, Yoshihiro Osamura, Henry Schaefer
English | 1994 | ISBN: 0195070283 | 496 pages | PDF | 11,9 MB

Neither Physics nor Chemistry: A History of Quantum Chemistry

Neither Physics nor Chemistry: A History of Quantum Chemistry

Neither Physics nor Chemistry: A History of Quantum Chemistry (Transformations: Studies in the History of Science and Technology) by Kostas Gavroglu
English | 2012 | ISBN: 0262016184 | 367 Pages | PDF | 3,4 MB

Quantum chemistry–a discipline that is not quite physics, not quite chemistry, and not quite applied mathematics–emerged as a field of study in the 1920s. It was referred to by such terms as mathematical chemistry, subatomic theoretical chemistry, molecular quantum mechanics, and chemical physics until the community agreed on the designation of quantum chemistry.

Strategies and Applications in Quantum Chemistry. From Molecular Astrophysics to Molecular Engineering by Y. Ellinger

Strategies and Applications in Quantum Chemistry. From Molecular Astrophysics to Molecular Engineering by Y. Ellinger

Strategies and Applications in Quantum Chemistry. From Molecular Astrophysics to Molecular Engineering by Y. Ellinger
Publisher: Springer; 1 edition (January 31, 1996) | ISBN: 0792338375 | Pages: 476 | PDF | 6.12 MB

At the time when increasing numbers of chemists are being attracted by the fascination of supposedly easy computing and associated colourful imaging, this book appears as a counterpoint. The first part focuses on fundamental concepts of quantum chemistry, covering MCSCF theory, perturbation treatments, basis set developments, density matrices, wave function instabilities to correlation effects, and momentum space theory.

Density Functional Theory in Quantum Chemistry

Density Functional Theory in Quantum Chemistry

Density Functional Theory in Quantum Chemistry by Takao Tsuneda
English | 2014 | ISBN: 4431548246 | 300 pages | PDF | 2,8 MB

In this book, density functional theory (DFT) is introduced within the overall context of quantum chemistry. DFT has become the most frequently used theory in quantum chemistry calculations. However, thus far, there has been no book on the fundamentals of DFT that uses the terminology and methodology of quantum chemistry, which is familiar to many chemists, including experimentalists.

Quantum Chemistry (5th Edition) by Ira N. Levine [Repost]

Quantum Chemistry (5th Edition) by Ira N. Levine [Repost]

Quantum Chemistry (5th Edition) by Ira N. Levine
English | Aug 5, 1999 | ISBN: 0136855121 | 751 Pages | DJVU | 12 MB

Integrating many new computer-oriented examples and problems throughout, this modern introduction to quantum chemistry covers quantum mechanics, atomic structure, and molecular electronics, and clearly demonstrates the usefulness and limitations of current quantum-mechanical methods for the calculation of molecular properties.

Propagators in Quantum Chemistry (repost)

Propagators in Quantum Chemistry (repost)

Jan Linderberg, Yngve Öhrn, "Propagators in Quantum Chemistry"
2 edition | English | 2004-04-01 | ISBN: 0471662577 | 262 pages | PDF | 7.8 mb

The only authoritative reference source on the propagator concept, now thoroughly revised and updated
Much has changed in the study of quantum and theoretical chemistry since the publication of the first edition of Propagators in Quantum Chemistry.

Accurate Condensed-Phase Quantum Chemistry (Computation in Chemistry) (Repost)

Accurate Condensed-Phase Quantum Chemistry (Computation in Chemistry) (Repost)

Accurate Condensed-Phase Quantum Chemistry (Computation in Chemistry) by Fred Manby
English | 2010 | ISBN: 1439808368 | 220 Pages | PDF | 4 MB

The theoretical methods of quantum chemistry have matured to the point that accurate predictions can be made and experiments can be understood for a wide range of important gas-phase phenomena.

Handbook of Computational Quantum Chemistry (repost)

Handbook of Computational Quantum Chemistry (repost)

David B. Cook, "Handbook of Computational Quantum Chemistry (Dover Books on Chemistry)"
English | 2005-08-02 | ISBN: 0486443078 | 383 pages | scan PDF | 23.2 mb

This comprehensive text provides upper-level undergraduates and graduate students with an accessible introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations. Topics include the Hartree-Fock method; matrix SCF equations; implementation of the closed-shell case; introduction to molecular integrals; and much more. 1998 edition.

Quantum Chemistry, Third Edition (repost)

Quantum Chemistry, Third Edition (repost)

Quantum Chemistry, Third Edition by John P. Lowe and Kirk Peterson
English | June 1, 2005 | ISBN: 012457551X | Pages: 728 | PDF | 9,1 MB

"This new edition is based closely on the already outstanding second edition, with the addition of a co-author and appropriate updating, reworking, and elaboration of the material. The overall quality of this book is on par with the excellent work by Ira N. Leveine, Quantum Chemistry (5th ed., 2000).

Second Quantized Approach to Quantum Chemistry: An Elementary Introduction (Repost)

Second Quantized Approach to Quantum Chemistry: An Elementary Introduction (Repost)

Second Quantized Approach to Quantum Chemistry: An Elementary Introduction by P. R. Surjan
English | 1990 | ISBN: 0387511377 | 99 Pages | PDF | 5 MB

The subject of this book is the application of the second quantized approach to quantum chemistry.

Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory by Attila Szabo (Repost)

Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory by Attila Szabo (Repost)

Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory by Attila Szabo (Repost)
Publisher: Dover Publications (July 2, 1996) | ISBN: 0486691861 | Pages: 480 | DJVU | 7.98 MB

Graduate-level text explains modern in-depth approaches to the calculation of the electronic structure and properties of molecules. Hartree-Fock approximation, electron pair approximation, much more. Largely self-contained, only prerequisite is solid course in physical chemistry.

Quantum Chemistry of Solids

Quantum Chemistry of Solids

Quantum Chemistry of Solids: The LCAO First Principles Treatment of Crystals by Robert A. Evarestov
English | 2007 | ISBN: 3540487468 | 558 pages | PDF | 5.9 MB

Fundamentals of Quantum Chemistry: Molecular Spectroscopy and Modern Electronic Structure Computations by Michael Mueller

Fundamentals of Quantum Chemistry: Molecular Spectroscopy and Modern Electronic Structure Computations by Michael Mueller

Fundamentals of Quantum Chemistry: Molecular Spectroscopy and Modern Electronic Structure Computations by Michael Mueller
Kap/Plenum | 2001 | English | ISBN: 0306475669 | 280 pages | PDF | 20 MB

This text is designed as a practical introduction to quantum chemistry. Quantum chemistry is applied to explain and predict molecular spectroscopy and the electronic structure of atoms and molecules. In addition, the text provides a practical guide to using molecular mechanics and electronic structure computations including ab initio, semi-empirical, and density functional methods.

Relativistic Quantum Chemistry: The Fundamental Theory of Molecular Science [Repost]

Relativistic Quantum Chemistry: The Fundamental Theory of Molecular Science [Repost]

Markus Reiher, Alexander Wolf - Relativistic Quantum Chemistry: The Fundamental Theory of Molecular Science
Published: 2009-02-17 | ISBN: 3527312927 | PDF | 690 pages | 6.63 MB