Computational Quantum Chemistry

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A01=Pranita
A01=Ram Yatan Prasad
advanced physical chemistry
Author_Pranita
Author_Ram Yatan Prasad
Black Body Radiation
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Compton Effect
Computational quantum chemistry
De Broglie Equation
density functional analysis
Eigen Function
Eigen Values
electronic structure modeling
Energy Functionals
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Exchange Correlation Energy
External Potential
Gas Discharge Tube
GGA Functional
Ground State Electron Density
Heisenberg's Uncertainty Principle
Heisenberg’s Uncertainty Principle
Highest Level Ab Initio Methods
Kohn Sham Energy
LSDA
Mathematical derivations
molecular orbital theory
Orbital Angular Momentum
Ordinary Differential Equation
Photoelectric effect
Planck's Radiation Law
Planck’s Radiation Law
Quantum Mechanical Objects
Quantum Mechanical Operator
quantum mechanics principles
quantum systems computational methods
Rayleigh Jeans Law
SchrA?dinger equation solutions
Time Dependent Density Functional Theory
Time Dependent Wave Function
Uniform Electron Gas
Wave Function

Product details

  • ISBN 9780367679699
  • Weight: 1500g
  • Dimensions: 178 x 254mm
  • Publication Date: 11 Mar 2021
  • Publisher: Taylor & Francis Ltd
  • Publication City/Country: GB
  • Product Form: Hardback
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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.

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.

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