Principles And Applications Of Quantum Chemistry by V.p. GuptaPrinciples And Applications Of Quantum Chemistry by V.p. Gupta

Principles And Applications Of Quantum Chemistry

byV.p. GuptaEditorV.p. Gupta

Paperback | October 22, 2015

not yet rated|write a review

Pricing and Purchase Info

$128.67 online 
$139.95 list price save 8%
Earn 643 plum® points

In stock online

Ships free on orders over $25

Not available in stores


Principles and Applications of Quantum Chemistryoffers 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

About The Author

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...
Lebesgue Measure and Integration
Lebesgue Measure and Integration

by P.k. Jain


Out of stock online

Not available in stores

Molecular And Laser Spectroscopy: Advances And Applications
Molecular And Laser Spectroscopy: Advances And Applications

by V.p. Gupta


Pre-order online

Not yet available in stores

Details & Specs

Title:Principles And Applications Of Quantum ChemistryFormat: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


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