Principles And Applications Of Quantum Chemistry

Paperback | October 22, 2015

byV.p. GuptaEditorV.p. Gupta

not yet rated|write a review
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

Pricing and Purchase Info

$130.42 online
$137.95 list price (save 5%)
In stock online
Ships free on orders over $25

From the Publisher

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 ele...

From the Jacket

Principles and Applications of Quantum Chemistryoffers clear and simple coverage based on the author's extensive teaching at advanced universities around the globe. This book is ideal for graduate and postgraduate students in chemistry, physics, materials science, biochemistry, and chemical engineering as well as researchers in chemica...

V.P. Gupta, Philosophy Doctor in Physics and Mathematics (1967) from Moscow (USSR), is an academician and researcher of long standing, with 45 years of teaching and research experience. He has held important positions of Professor and Chairman, Department of Physics, University of Jammu, Jammu-Tawi, India; Visiting Professor of Chemist...

other books by V.p. Gupta

Lebesgue Measure and Integration
Lebesgue Measure and Integration

Paperback|Jul 15 2012

$53.50

Format:PaperbackDimensions:478 pages, 8.75 × 6.35 × 0.68 inPublished:October 22, 2015Publisher:Academic PressLanguage:English

The following ISBNs are associated with this title:

ISBN - 10:0128034785

ISBN - 13:9780128034781

Look for similar items by category:

Customer Reviews of Principles And Applications Of Quantum Chemistry

Reviews

Extra Content

Table of Contents

Chapter 1 Basic Principles of Quantum Chemistry Chapter 2 Many-Electron Atoms and Self-Consistent Fields Chapter 3 Self-Consistent Field Molecular Orbital Theory Chapter 4 Approximate Molecular Orbital Theories Chapter 5 Density Functional Theory (DFT) and Time Dependent DFT (TDDFT) Chapter 6 Electron Density Analysis and Electrostatic Potential Chapter 7 Molecular Geometry Predictions Chapter 8 Vibrational Frequencies and Intensities Chapter 9 Interaction of Radiation and Matter and Electronic Spectra Chapter 10 Energy and Force Concepts in Chemical Bonding Chapter 11 Topological Analysis of Electron Density - Quantum Theory of Atoms in Molecules Chapter 12 Characterization of Chemical Reactions