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Recommended Book List

Basic Theory Series

  1. Quantum Chemistry

Quantum mechanics fundamentals tailored for chemistry students, with detailed calculations.

  1. Modern Quantum Chemistry

A classic textbook on quantum chemistry, with a highlight on the Hartree-Fock theory.

  1. The Electronic Structure and Chemistry of Solids

Qualitative solid-state physics suitable for chemistry students, providing a basic understanding of solid-state physics.

  1. Statistical Mechanics

A comprehensive introduction to statistical mechanics with detailed formula derivations. Serious study will provide a relatively deep understanding of statistical mechanics.

  1. Second Quantized Approach to Quantum Chemistry

As stated in the preface of this book, it is designed to introduce chemists (non-physicists) to the language of second quantization. If you want to delve into second quantization in detail for literature reading, I highly recommend this book. As the author says, you will only appreciate the beauty of second quantization once you start using it.

Programming Series

  1. Linux Command Line and Shell Scripting Bible

From beginners to intermediate, this book provides excellent explanations and comprehensiveness. Interacting with the Unix kernel using bash and shell is the foundation for all programming, especially if you want to enjoy programming on Linux or MacOS.

  1. Python Crash Course

A systematic introduction to Python programming, focusing on the data presentation part in the project section.

  1. Numerical Python

A textbook on using Python in data science, covering numpy, scipy, and matplotlib.

  1. Fortran for Scientists & Engineers

An introduction to Fortran with a solid foundation. The examples are straightforward, comprehensive, and can be completed in about 20 days. The summaries and code references at the end of each chapter are well-detailed. Additionally, there is a tutorial on Fortran/C interoperability in the appendix.