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I have added the MP methods as they are very popular. I do not think we should add everything as it would get too large. Other methods should be linked from the main articles that this box shows.
I second this, DMRG is not any of the standard electronic structure methods.--
P.wormer 08:15, 20 February 2007 (UTC)reply
I agree as well and have removed it; the DMRG article itself states that is still restricted to 1D and limited 2D systems --
WilliamDParker 13:58, 20 February 2007 (UTC)reply
Format
Would this be better as a footer? --
WilliamDParker 18:42, 20 October 2006 (UTC)reply
Proposed additions
k·p perturbation theory is incredibly widely used, although not particularly deep or profound or difficult. I think most people would call it an "electronic structure method", albeit not ab-initio. Does it belong on this template? Any thoughts? :-) --
Steve (
talk) 16:36, 24 June 2008 (UTC)reply
I'm fairly neutral on this proposal, but I would not want to make the template too large. I would prefer to see it restricted to methods that are applied to solids, molecules and atoms, while perhaps keeping methods that are applied largely or even only to molecules. --
Bduke (
talk) 22:29, 24 June 2008 (UTC)reply
Well with one neutral vote and no objections, I'm tentatively putting it in. It's certainly a solids-only technique (useless for molecules); but on the other hand, this is "Electronic structure methods", not "Molecular electronic structure methods", and this technique is very widely used on the solids front. I don't think the template is too large yet, but if it were, I think there are better ways to shorten it without loss of diversity or content--e.g., by replacing
Møller-Plesset perturbation theory,
Configuration interaction, and
Coupled cluster with simply
Post-Hartree-Fock. Further thoughts? --
Steve (
talk) 16:11, 14 July 2008 (UTC)reply
I woud favour the use of
Post-Hartree-Fock, as it would avoid people trying to add all the other P-HF methods. --
Bduke (
talk) 22:35, 14 July 2008 (UTC)reply
Korringa–Kohn–Rostoker method (KKR) is also widely used for electronic band structure calculations. In the sense that many implementations exist. I am in favor of adding it to the template. Reason: It is listed in the category , but not in the corresponding template. This is more confusing than putting it in both, to my mind. --
Johannes (
talk) 12:11, 04 July 2022 (UTC)reply
Model solid
I have removed this item from the template on these grounds:
1. The article about it has absolutely no detail and is only a sketch.
2. The method is not a general one, but limited to a few details of band structure in a few materials.
Brews ohare (
talk) 17:55, 25 November 2008 (UTC)reply
I added the article to the template but I agree that it's probably not appropriate for the template - it's only relevant to 2D semiconductor heterostructures. However, it has been instrumental to breakthroughs within that field (QCLs, RTDs etc), so I'll look for an appropriate category for it.
Papa November (
talk) 23:30, 25 November 2008 (UTC)reply
More methods?
Would it be possible to add some more? Augmented Plane Waves? Orthogonalized PW? Pseudopotential Methods? --
83.34.214.48 (
talk) 21:57, 2 February 2011 (UTC)reply