Practical Method for Highly Accurate Large-Scale Surface Calculations
Physical Review Letters, ISSN: 0031-9007, Vol: 56, Issue: 21, Page: 2299-2302
1986
- 34Citations
- 2Captures
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Example: if you select the 1-year option for an article published in 2019 and a metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019. If you select the 3-year option for the same article published in 2019 and the metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019, 2018 and 2017.
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Article Description
We have developed and tested a practical and accurate version of the linearized muffin-tin orbital (LMTO) technique for surface calculations. We have done this by extending the standard LMTO basis with a small number of independent plane-wave orbital functions. The basic advantage of the LMTO method, small basis size, is thus retained. This implies sufficiently great computational advantages of time and memory so as to extend the range of feasibility for high-quality surface electronic-structure calculations to larger problems (more atoms per two-dimensional cell) than hitherto possible. © 1986 The American Physical Society.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=7244261309&origin=inward; http://dx.doi.org/10.1103/physrevlett.56.2299; http://www.ncbi.nlm.nih.gov/pubmed/10032945; https://link.aps.org/doi/10.1103/PhysRevLett.56.2299; http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevLett.56.2299/fulltext; http://link.aps.org/article/10.1103/PhysRevLett.56.2299
American Physical Society (APS)
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