Need book recommendations for Quantum Chem/Nanomaterials

[Aunp]

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.

 

[TonyG]

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.