Talk:QMC applications

From QMC

I've added a non-exhaustive list of T=0 calculations in the literature. I think Ma et al. PRE 71, 066704 (2005) has a good list of T=0 atomic QMC calculations, I just haven't gone through all of them. Wparker 16:47, 9 August 2006 (CDT)

I've added a few chemistry papers using QMC. I don't quite understand their method with the potential. Is it useful to put the method used in a given study after it like I have (e.g. pseudopotential DMC)? Wparker 12:59, 11 August 2006 (CDT)

--Jeongnim 13:35, 11 August 2006 (CDT) Can you give me a specific example?

The two chemistry papers describing potential methods that I haven't looked into carefully and don't seem to be standard pseudopotential methods are: the HF monomer and dimer and the H₂O + CO papers. Wparker 14:34, 14 August 2006 (CDT)

I noticed in glancing at the paper on helium, argon and neon clusters that they use a Lennard-Jones potential for the argon and neon clusters and a so-called "Aziz HFD-B(HE)" potential for the helium clusters. So, they aren't all-electron as I had previously thought. What does one call such an approach? Semi-empirical potential? Wparker 14:34, 14 August 2006 (CDT)