In Holland, the weather is strong enough to invert the umbrella. I (often) 'feel' the celbrated ammonia inversion in a rainy, windy day in Leiden.
Calculations as followed:
Electronic structure: Gamess-US, Restricted Hartree-Fock level with STO/3g
Its a review-blog of my numerical experiments with different computer-languages, algorithmics, (math,phys,chem) softwares, benchmarks, books etc. & of course presenting everything with a flavour of computational chemistry or physics!