Total-energy calculations on a real space grid with localized functions and a plane-wave basis.
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Publication:1862425
DOI10.1016/S0010-4655(02)00461-7zbMATH Open1174.82312OpenAlexW2125149439WikidataQ60264742 ScholiaQ60264742MaRDI QIDQ1862425FDOQ1862425
Authors: Arash A. Mostofi, Chris-Kriton Skylaris, Peter D. Haynes, Mike C. Payne 
Publication date: 19 March 2003
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/s0010-4655(02)00461-7
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Cites Work
Cited In (7)
- Truncated spherical-wave basis set for first-principles pseudopotential calculations
- Title not available (Why is that?)
- Efficient \(O(N)\) integration for all-electron electronic structure calculation using numeric basis functions
- Linear-scaling density-functional theory with tens of thousands of atoms: expanding the scope and scale of calculations with ONETEP
- Plane-wave implementation of the real-space \(K \cdot p\) formalism and continuum elasticity theory
- Accurate kinetic energy evaluation in electronic structure calculations with localized functions on real space grids
- A new reciprocal space based method for treating long range interactions in ab initio and force-field based calculations for surfaces, wires and clusters
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