The DOI matches its Crossref record; 57 of the 57 references it cites were found in a registry or an index.
Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory
Open accessAbstract
The package fhi98PP allows one to generate norm-conserving pseudopotentials adapted to density-functional theory total-energy calculations for a multitude of elements throughout the periodic table, including first-row and transition metal elements. The package also facilitates a first assessment of the pseudopotentials' transferability, either in semilocal or fully separable form, by means of simple tests carried out for the free atom. Various parameterizations of the local-density approximation and the generalized gradient approximation for exchange and correlation are implemented.
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Cites
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QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Giannozzi, P., Baroni, S., Bonini, N., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Chiarotti, G. L., Cococcioni, M., Dabo, I., et al. (2009) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/21/39/395502 · Cited by 29,281
Optimized norm-conserving Vanderbilt pseudopotentials
Hamann, D. R. (2013) · Physical Review B · doi:10.1103/physrevb.88.085117 · Cited by 3,379
First-principles computation of material properties: the ABINIT software project
Gonze, X., Beuken, J.-M., Caracas, R., Detraux, F., Fuchs, M., Rignanese, G.-M., Sindic, L., Verstraete, M., Zerah, G., Jollet, F., et al. (2002) · Computational Materials Science · doi:10.1016/s0927-0256(02)00325-7 · Cited by 3,114
Self-citationReproducibility in density functional theory calculations of solids
Lejaeghere, K., Bihlmayer, G., Björkman, T., Blaha, P., Blügel, S., Blum, V., Caliste, D., Castelli, I. E., Clark, S. J., Dal Corso, A., et al. (2016) · Science · doi:10.1126/science.aad3000 · Cited by 1,649
Self-citationA Group-IV Ferromagnetic Semiconductor: Mn x Ge 1− x
Park, Y. D., Hanbicki, A. T., Erwin, S. C., Hellberg, C. S., Sullivan, J. M., Mattson, J. E., Ambrose, T. F., Wilson, A., Spanos, G., & Jonker, B. T. (2002) · Science · doi:10.1126/science.1066348 · Cited by 1,631
Metadata
- Authors
- Fuchs, M., & Scheffler, M.
- Venue
- Computer Physics Communications
- Publisher
- Elsevier BV
- Published
- 1999-06
- Volume
- 119
- Issue
- 1
- Pages
- 67-98
- ISSN
- 0010-4655 (ISSN-L)
- OpenAlex
- W2023861251
- Cited by
- 1,424
- References
- 57
- FWCI
- 21.78
- Type
- journal article
- Language
- en
- Open access
- green
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- Fuchs, M., & Scheffler, M. (1999). Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory. Computer Physics Communications. https://doi.org/10.1016/s0010-4655(98)00201-x
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
