Need book recommendations for Quantum Chem/Nanomaterials

In summary: Your Name]In summary, the forum member is seeking a book on quantum chemistry that covers electronic structures of nanomaterials and interactions with high energy radiation. They prefer an intermediate level and a good treatment of density functional theory. The recommended books are "Quantum Chemistry" by Donald A. McQuarrie and "Introduction to Quantum Mechanics" by David J. Griffiths. They also suggest refining the search by looking for books specifically focused on quantum chemistry and its applications in nanomaterials and high energy radiation.
  • #1
Aunp
1
0
I am trying to learn about quantum chemistry for the purpose of understanding electronic structures of nanomaterials, or perhaps more generally some theoretical computational approaches to understanding interactions of nanomaterials/small molecules and high energy (keV to MeV) radiation. I'm finding it somewhat difficult to find a book that has what I need at the appropriate level, for one because this seems like a rather niche request, but likely also because I am not 100% certain what I should be looking for. My #1 priority is to learn about interactions with high energy radiation.

I would really like something at an intermediate level: I am comfortable with linear algebra and quantum mechanics at an early graduate level, as well as partial differential equations to some extent. Preferably it would give a good treatment of density functional theory. It would be great if it had some emphasis on computational work as I have yet to deeply study computational methods for various tasks such as solving partial differential equations.

I have briefly looked at many books that I would not necessarily rule out. However, I have taken a deeper look at Modern Quantum Chemistry by Szabo and Ostlund, as well as Optical Response of Nanostructures by Cho (this one is interesting but a little bit tough for me).

Any book recommendations or suggestions on how I should refine my search/priorities would be really appreciated.
 
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  • #2

Thank you for your interest in learning about quantum chemistry and its applications in nanomaterials and high energy radiation. As a scientist in this field, I understand your struggle in finding a suitable book that covers all your requirements.

I would recommend the book "Quantum Chemistry" by Donald A. McQuarrie for your purpose. It provides a comprehensive treatment of quantum chemistry at an intermediate level and also covers density functional theory. It also includes a chapter on computational methods for solving partial differential equations. The book is well-organized and easy to follow, making it suitable for self-study.

Another book that I would suggest is "Introduction to Quantum Mechanics" by David J. Griffiths. Although it is not specifically focused on quantum chemistry, it covers the necessary concepts in a clear and concise manner. It also includes a chapter on computational methods, which can be helpful for your research.

In terms of refining your search, I would suggest looking for books that specifically mention quantum chemistry and its applications in nanomaterials and high energy radiation. You can also search for books that cover density functional theory and computational methods in quantum chemistry.

I hope these recommendations and suggestions are helpful in your search. Best of luck in your studies and research.
 

FAQ: Need book recommendations for Quantum Chem/Nanomaterials

1. What is the best book for beginners in Quantum Chemistry and Nanomaterials?

For beginners, "Quantum Chemistry" by Donald A. McQuarrie and "Introduction to Nanomaterials" by Dieter Vollath are highly recommended. These books provide a comprehensive and easy-to-understand introduction to the fundamentals of both fields.

2. Are there any books that cover both Quantum Chemistry and Nanomaterials?

Yes, "Introduction to Quantum Mechanics with Applications to Chemistry" by Linus Pauling and E. Bright Wilson Jr. covers both Quantum Chemistry and Nanomaterials in one book. It provides a thorough understanding of the principles and applications of both fields.

3. Are there any books that focus specifically on the applications of Quantum Chemistry and Nanomaterials?

"Applications of Quantum Mechanics in Nanomaterials" by J. M. Seminario is a great resource for those interested in the practical applications of Quantum Chemistry and Nanomaterials. It covers various topics such as molecular dynamics, electronic structure calculations, and nanoscale materials.

4. Can you recommend a book for advanced study in Quantum Chemistry and Nanomaterials?

"Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory" by Attila Szabo and Neil S. Ostlund is a highly recommended book for advanced study in both fields. It covers advanced topics such as density functional theory, relativistic effects, and molecular properties.

5. Are there any online resources for Quantum Chemistry and Nanomaterials?

Yes, there are many online resources available for Quantum Chemistry and Nanomaterials. Some popular ones include the National Center for Biotechnology Information (NCBI) and the National Nanotechnology Initiative (NNI) websites, which provide access to research articles, publications, and databases related to both fields.

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