What is the purpose of this blog?

I actually don't know yet what the purpose of this blog will be. Probably I will publish new results and write a bit about the theory behind methods implemented in QM packages. Thus, the blog has more or less educational purposes.

So let us see where it will bring us ;-)

To actually have some content in this post, I would like to give a list of books I found very helpful:

  • Introduction to Computional Chemistry 2nd Edition, Frank Jensen, Wiley, 2008

  • Molecular Quantum Mechanics 5th Edition Peter W. Atkins and Ronald Friedmann Oxford University Press, 2011

  • Modern Quantum Chemistry Attila Szabo & Neil S. Ostlund McGraw-Hill, 1989

  • Molecular Electronic-Structure Theory Trygve Helgaker, Poul Jørgensen, Jeppe Olsen Wiley, 2000

social