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72644546
Molecular Electronic-Structure Theory
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Item #:
72644546
BTN 9460
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What Stands Out
Comprehensive Coverage
This edition offers a thorough exploration of molecular electronic-structure theory, catering to advanced students and researchers, ensuring in-depth understanding of complex concepts and methodologies.
Practical Applications
Integrating real-world applications, this book demonstrates how molecular electronic-structure theory can solve practical problems in chemistry and materials science, enhancing learners' ability to apply knowledge effectively.
Expert Insights
Authored by leading experts in the field, it provides valuable insights and current research trends, making it an essential resource for anyone looking to stay ahead in molecular science.
Product Details
- Comprehensive coverage of modern molecular electronic-structure theory
- Topics include second quantization, Hartree-Fock theory, and perturbation theory
- Extensive use of numerical examples to illustrate method strengths and weaknesses
- Provides problems and exercises with hints and solutions for self-assessment
- Suitable for researchers in quantum chemistry and nonspecialists seeking understanding
- Highly recommended for teaching graduates and advanced undergraduates
| Publisher | Wiley |
| Publication date | February 25, 2013 |
| Edition | 1st |
| Language | English |
| Print length | 944 pages |
| ISBN-10 | 9781118531471 |
| ISBN-13 | 978-1118531471 |
| Item Weight | 3.65 pounds (1.66 kg) |
| Dimensions | 7.5 x 1.9 x 9.72 inches (19.1 x 4.8 x 24.7 cm) |
Who Should Buy?
-
Graduate Students
Ideal for graduate students specializing in physical chemistry or quantum mechanics, providing essential theoretical foundations and practical applications.
-
Research Scientists
Beneficial for research scientists focusing on molecular modeling and simulations, aiding in advanced electronic structure calculations.
-
Academic Instructors
Useful for instructors teaching advanced courses in theoretical chemistry, offering comprehensive explanations and methodologies for students.
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Undergraduate Beginners
Not suitable for undergraduates with little prior knowledge of quantum chemistry or electronic structure theories, as it can be complex.
Product Description
Molecular Electronic-Structure Theory
About This Item
Introducing the Molecular Electronic-Structure Theory 1st Edition! Unlock the secrets of molecular electronic structure with this comprehensive and groundbreaking book. Developed by top researchers in the field, this 1st edition offers a profound understanding of basic quantum mechanics and the computational approach to electronic structure. Reviewed by esteemed scientific journals, the Molecular Electronic-Structure Theory is highly praised for its completeness and satisfaction in presenting the actual armament involved in the computational approach to electronic structure. Whether you're a student or a researcher, this book is a must-have for anyone who wishes to delve into the fascinating world of molecular electronic structure methods. Gain a profound knowledge of basic quantum mechanics and understand the basis of modern molecular electronic-structure theory. Explore topics such as second quantization with spin adaptation, Gaussian basis sets and molecular-integral evaluation, Hartree-Fock theory, configuration-interaction and multi-configurational self-consistent theory, coupled-cluster theory for ground and excited states, perturbation theory, linear-scaling techniques, and much more. This comprehensive work also covers basis-set convergence and extrapolation, calibration and benchmarking of computational methods, and their practical applications to molecular equilibrium structures, atomization energies, and reaction enthalpies. Ab initio quantum chemistry has revolutionized the field of chemistry and molecular physics, and now you have the opportunity to gain an in-depth understanding of this powerful tool. Don't miss out on this invaluable resource in the world of molecular electronic-structure theory.
Get your copy of the Molecular Electronic-Structure Theory 1st Edition today and unlock the secrets of the molecular world!.
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Customer Questions & Answers
-
Question:
What is Molecular Electronic-Structure Theory?
Answer: Molecular Electronic-Structure Theory is a branch of theoretical chemistry that seeks to understand the electronic structure of molecules. This involves computational techniques that model how electrons occupy molecular orbitals and contribute to chemical bonding. It is essential for predicting molecular behavior, stability, and reactivity. Research in this field can help chemists design new materials and drugs by providing insights into how molecular interactions work. -
Question:
Who is the author of Molecular Electronic-Structure Theory 1st Edition?
Answer: Molecular Electronic-Structure Theory 1st Edition is authored by the renowned physicist and chemist, Walter A. Goddard III. He is known for his significant contributions to computational chemistry and electronic structure methods. With extensive research experience, his insights can be invaluable for students and professionals wanting to delve deeper into molecular modeling and electronic interactions in materials science. -
Question:
What topics are covered in the Molecular Electronic-Structure Theory 1st Edition?
Answer: This edition covers a wide array of topics including foundational concepts of electronic structure, various computational methods like Hartree-Fock and Density Functional Theory, and their applications in predicting molecular properties. It also discusses advanced topics, such as electron correlation and post-Hartree-Fock methods, essential for understanding complex molecular systems. The book provides a blend of theoretical principles and practical applications relevant for chemists and physicists. -
Question:
What are the practical applications of Molecular Electronic-Structure Theory?
Answer: Molecular Electronic-Structure Theory has numerous practical applications in fields such as drug discovery, materials science, and nanotechnology. For instance, it can help in predicting how new pharmaceuticals will interact with biological targets or the properties of advanced materials. Researchers utilize theoretical models from this discipline to simulate reactions and assess molecular performance before experimental implementation, saving both time and resources. -
Question:
Is Molecular Electronic-Structure Theory suitable for beginners?
Answer: While the topics in Molecular Electronic-Structure Theory can be quite advanced, the 1st Edition is structured to be accessible for beginners as it starts with foundational concepts. Readers with a basic understanding of quantum mechanics and chemistry will find the applications and theories explained in a manner conducive to learning. Moreover, practical examples are included, which facilitate grasping complex ideas more intuitively. -
Question:
How does Molecular Electronic-Structure Theory differ from classical models?
Answer: Molecular Electronic-Structure Theory significantly diverges from classical models by providing a quantum mechanical perspective on molecular behavior. Unlike classical models that may oversimplify electron interactions, this theory rigorously accounts for the wave-like nature of electrons and their probability distributions. This leads to more accurate predictions of molecular properties, essential for advanced research and development in modern chemistry. -
Question:
What tools or software complement the study of Molecular Electronic-Structure Theory?
Answer: Studying Molecular Electronic-Structure Theory is often complemented by various computational software such as Gaussian, ORCA, and Quantum ESPRESSO. These tools allow users to perform electronic structure calculations, visualize molecular geometries, and analyze results. Familiarity with these programs can enhance understanding, enabling users to apply theoretical knowledge to real-world chemical problems and simulations. -
Question:
Can Molecular Electronic-Structure Theory be applied to large molecular systems?
Answer: Yes, Molecular Electronic-Structure Theory can be applied to large molecular systems, although computational demands increase significantly with the size and complexity of the molecules involved. Techniques such as Density Functional Theory (DFT) and various scaling methods enable researchers to study larger systems while maintaining reasonable computational resources. This application is crucial in fields like biochemistry and materials science, where large and complex systems are common. -
Question:
Where can I buy Molecular Electronic-Structure Theory 1st Edition?
Answer: You can purchase Molecular Electronic-Structure Theory 1st Edition through Ubuy, which provides a convenient platform for acquiring this book. Ubuy offers various options for customers in Bhutan, ensuring that you can easily find this essential resource for your studies in theoretical chemistry.
Physical & Theoretical Editorial Review
The Molecular Electronic-Structure Theory 1st Edition has received mixed but predominantly positive feedback from customers. Many reviewers praised the book for being a valuable resource for graduate students in chemistry, providing comprehensive coverage of electronic structure theory and serving as a solid introduction to the field. Readers appreciated the conceptual answers to questions and the inclusion of crucial technical details needed for implementation. However, some found the book's 1000-page length challenging, and others noted that it does not cover Density Functional Theory. Additionally, there was a complaint about the condition of the book upon delivery, which suggests a possible issue with packaging. Overall, the Consensus is that the book is a valuable and comprehensive resource for those with a solid foundation in quantum mechanics and chemistry, but it may not be suitable for beginners in electronic structure theory due to its complexity.
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Pros
- Comprehensive coverage of electronic structure theory
- Valuable resource for graduate students in chemistry
- Solid introduction to the field
- Includes crucial technical details for implementation
- Provides conceptual answers to questions
Cons
- Lengthy with 1000 pages, making it challenging to read
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BTN 9460
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Features & Benefits
- Ab initio quantum chemistry is a useful tool in chemical research
- Quantum-mechanical methods can now be used for solving complex problems in this field
- The book covers a wide variety of topics, from Hartree-Fock theory to basis-set convergence
- Numerous examples and exercises help in illustrating key concepts
- Useful for researchers, nonspecialists, graduates, and advanced undergraduates
- Recommended for anyone interested in ab initio molecular electronic-structure theory
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