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Hyperbolic journalism aside, this is certainly an interesting material. Surprisingly, from a cursory literature search, it appears that no one has attempted to
by Xcelerate 10y ago
Hyperbolic journalism aside, this is certainly an interesting material. Surprisingly, from a cursory literature search, it appears that no one has attempted to perform electronic structure calculations on SmB6, although the compound seems to have only started gathering interest around 2013. DFT of course wouldn't work for something with high electron correlation, but considering the simplicity of the molecule, I imagine QMC could tackle this fairly readily to provide some insight as to what's going on.
- raverbashing 10y agoDiscrete Fourier transform and quantum Monte Carlo?
- pazimzadeh 10y agoDelta Follicle Trapping and Quick Melting Carbon
- danarlow 10y ago"Density Functional Theory" and "Quantum Monte Carlo", two ways of calculating electronic structures (the former tends to be more approximate and the latter tends to be more computationally expensive)
- cappsjulian 10y agoDown for tacos; queso means cheese
- sseagull 10y agoLanthanide (and Actinides) are difficult to handle, computationally. They tend to require relativistic methods. They also tend not to be single-determinant. (Source: I've tried and very much failed). I'm not as familiar with QMC, so I don't know the status of QMC with relativistic methods, etc.