Computational quantum chemistry [electronic resource] / authored by Prof (Dr.) Ram Yatan Prasad and Dr. Pranita.

By:

Prasad, Ram Yatan [author.]

Contributor(s):

Pranita [author.]

Material type: Text

TextPublication details: FL : CRC Press, c2021.Edition: Second editionDescription: 1 online resourceISBN:

9781000344691
100034469X
9781000344752
1000344754
9781003133605
1003133606

Subject(s):

DDC classification:

541.28 PRA

Contents:

1. Quantum Theory 2. Wave–Particle Duality 3. Mathematical Techniques 4. Quantum Mechanical Operators 5. Postulates of Quantum Mechanics 6. The Schrödinger Equation 7. Playing with the Schrödinger Equation 8. Hydrogen Atom 9. Approximate Methods 10. Diatomic Molecules 11. Multielectronic Systems 12. Polyatomic Molecules 13. Hückel Molecular Orbital Theory/Method 14. Density Functional Theory

Summary: "Computational Quantum Chemistry 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 Readers friendly. Deals with the mathematical techniques which will help the readers more efficient in solving problems. Explains a structured approach for mathematical derivations. A reference book for academicians and Scientific investigators"--

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Holdings
Item type	Current library	Collection	Call number	Status	Date due	Barcode
General Books	CUTN Central Library Sciences	Non-fiction	541.28 PRA (Browse shelf(Opens below))	Available		47310

1. Quantum Theory

2. Wave–Particle Duality

3. Mathematical Techniques

4. Quantum Mechanical Operators

5. Postulates of Quantum Mechanics

6. The Schrödinger Equation

7. Playing with the Schrödinger Equation

8. Hydrogen Atom

9. Approximate Methods

10. Diatomic Molecules

11. Multielectronic Systems

12. Polyatomic Molecules

13. Hückel Molecular Orbital Theory/Method

14. Density Functional Theory

Online version restricted to NUS staff and students only through NUSNET.

"Computational Quantum Chemistry 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 Readers friendly. Deals with the mathematical techniques which will help the readers more efficient in solving problems. Explains a structured approach for mathematical derivations. A reference book for academicians and Scientific investigators"--

Mode of access: World Wide Web.

System requirements: Internet connectivity; World Wide Web browser.

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