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.
Auflage
Sprache
Verlagsort
Verlagsgruppe
Zielgruppe
Für höhere Schule und Studium
Academic, Postgraduate, Professional, and Undergraduate Advanced
Illustrationen
102 s/w Abbildungen, 29 s/w Tabellen
29 Tables, black and white; 102 Illustrations, black and white
Maße
Höhe: 260 mm
Breite: 183 mm
Dicke: 43 mm
Gewicht
ISBN-13
978-0-367-67969-9 (9780367679699)
Copyright in bibliographic data and cover images is held by Nielsen Book Services Limited or by the publishers or by their respective licensors: all rights reserved.
Schweitzer Klassifikation
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, and a life fellow of Indian Chemical Society and other societies of repute. He has been two times pro-vice chancellor in Bihar and Jharkhand. To his credit, he has been a member of editorial board in national journals. He has received an Outstanding Service Award from the Governor of Jharkhand. He has been chairperson of World Academy of Sciences, Paris, France, in the international conference and has received an Appreciation Award. He has more than 46 years of experience in teaching quantum chemistry, spectroscopy, and thermodynamics at the postgraduate level. Dr. Prasad is a prolific author of chemistry and has published many research papers in reputed journals to his credit.
Pranita, PhD, DSc (hc) Sri Lanka, FICS, is an assistant professor of chemistry at Vinoba Bhave University, India. She has published many research papers in national and international journals to her credit. Her area of interest is thermodynamics of liquid state. She has 12 years of teaching experience in quantum chemistry, statistics, and liquid state.
Autor*in
Vinoba Bhave University, India
Vinoba Bhave University, India
1. Quantum Theory 2. Wave-Particle Duality 3. Mathematical Techniques 4. Quantum Mechanical Operators 5. Postulates of Quantum Mechanics 6. The Schroedinger Equation 7. Playing with the Schroedinger Equation 8. Hydrogen Atom 9. Approximate Methods 10. Diatomic Molecules 11. Multielectronic Systems 12. Polyatomic Molecules 13. Hueckel Molecular Orbital Theory/Method 14. Density Functional Theory
