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Matter Modeling

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    $\begingroup$ +1. I think each QMC method (FCIQMC, VMC, DMC, AFQMC, etc.) could be the subject of one question, each deterministic Schroedinger-equation solver (CI, CC, MP2, CASSCF, etc.) can be the subject of another question, and so on. Mixing QMC with DFT and deterministic Schroedinger-equation solvers, seems like it could get quite messy (?). For QMC, perhaps the scaling properties can be discussed in each answer here. $\endgroup$ Commented Jul 26, 2020 at 3:10
  • $\begingroup$ @NikeDattani. Yes. There is a good chance that this will become chaos. How do you suggest changing this question? May be limiting to only DFT? $\endgroup$ Commented Jul 26, 2020 at 3:12