Resources
Books
Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory by Attila Szabo and Neil S. Ostlund
Molecular Electronic-Structure Theory by Trygve Helgaker, Poul Jørgensen, and Jeppe Olse
Many-Body Methods in Chemistry and Physics: MBPT and Coupled-Cluster Theory by Isaiah Shavitt and Rodney J. Bartlett
Nonequilibrium Many-Body Theory of Quantum Systems: A Modern Introduction by Gianluca Stefanucci and Robert van Leeuwen
Quantum Computation and Quantum Information by Michael A. Nielsen and Isaac L. Chuang
Deep learning by Ian Goodfellow, Yoshua Bengio, Aaron Courville
Reviews
- Tensor network:
- Quantum computation:
- Quantum computational chemistry by S. McArdle, S. Endo, A. Aspuru-Guzik, S. C. Benjamin, and X. Yuan
- Neural network quantum states:
- Ab initio quantum chemistry with neural-network wavefunctions by J. Hermann, J. Spencer, K. Choo, A. Mezzacapo, W. M. C. Foulkes, D. Pfau, G. Carleo and F. Noé
- Coupled cluster theory:
- An Introduction to Coupled Cluster Theory for Computational Chemists by T. Daniel Crawford and H. F. Schaefer III
- Perspective: Multireference coupled cluster theories of dynamical electron correlation by F. A. Evangelista
- Time-dependent density functional theory:
- Single-Reference ab Initio Methods for the Calculation of Excited States of Large Molecules by A. Dreuw and M. Head-Gordon
- Time-dependent density functional response theory for molecules by M. E. Casida
Talks
Writing
- overleaf: online latex editor
- plot: matplotlib, seaborn, …
Programming
- Git: github, gitlab, …
- Python: numpy, scipy, pytorch, jax, …
- C++
- GPU: cuda, cublas, magma, …
- Mathematica
Codes
- HF, DFT, MP2, FCI by Peng Bao