The DOI matches its Crossref record; 27 of the 27 references it cites were found in a registry or an index.
Generation of Projector Augmented-Wave atomic data: A 71 element validated table in the XML format
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“Leveraging the SSSP protocol, we identify two optimal PSP libraries, named SSSP efficiency and SSSP precision (version 1.1), that provide thoroughly tested and precise PSPs for 85 elements of the periodic table, selected from publicly available PSP libraries [16-22], for which the original authors should be acknowledged.”
From Precision and efficiency in solid-state pseudopotential calculations (2018) · cites this paper as [16]
In the citing paper
“Leveraging the SSSP protocol, we identify two optimal PSP libraries, named SSSP efficiency and SSSP precision (version 1.1), that provide thoroughly tested and precise PSPs for 85 elements of the periodic table, selected from publicly available PSP libraries [16-22], for which the original authors should be acknowledged.”
From Precision and efficiency in solid-state pseudopotential calculations (2018) · cites this paper as [16]
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Citations
Cites
Projector augmented-wave method
Blöchl, P. E. (1994) · Physical Review B · doi:10.1103/physrevb.50.17953 · Cited by 92,732
From ultrasoft pseudopotentials to the projector augmented-wave method
Kresse, G., & Joubert, D. (1999) · Physical Review B · doi:10.1103/physrevb.59.1758 · Cited by 85,307
Kresse, G., & Furthmüller, J. (1996) · Computational Materials Science · doi:10.1016/0927-0256(96)00008-0 · Cited by 76,871
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., Cococcioni, M., Dabo, I., et al. (2009) · Journal of Physics Condensed Matter · doi:10.1088/0953-8984/21/39/395502 · Cited by 29,793
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
Vanderbilt, D. (1990) · Physical Review B · doi:10.1103/physrevb.41.7892 · Cited by 23,185
Efficient pseudopotentials for plane-wave calculations
Troullier, N., & Martins, J. L. (1991) · Physical review. B, Condensed matter · doi:10.1103/physrevb.43.1993 · Cited by 16,222
Separable dual-space Gaussian pseudopotentials
Goedecker, S., Teter, M. P., & Hutter, J. (1996) · Physical review. B, Condensed matter · doi:10.1103/physrevb.54.1703 · Cited by 7,478
Efficacious Form for Model Pseudopotentials
Kleinman, L., & Bylander, D. M. (1982) · Physical Review Letters · doi:10.1103/physrevlett.48.1425 · Cited by 5,698
Norm-Conserving Pseudopotentials
Hamann, D. R., Schlüter, M., & Chiang, C. (1979) · Physical Review Letters · doi:10.1103/physrevlett.43.1494 · Cited by 4,511
ABINIT: First-principles approach to material and nanosystem properties
Gonze, X., Amadon, B., Anglade, P.-M., Beuken, J.-M., François Bottin, A., Boulanger, P., Bruneval, F., Caliste, D., Caracas, R., Côté, M., et al. (2009) · Computer Physics Communications · doi:10.1016/j.cpc.2009.07.007 · Cited by 2,723
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LOBSTER: A tool to extract chemical bonding from plane‐wave based DFT
Maintz, S., Deringer, V. L., Tchougréeff, A. L., & Dronskowski, R. (2016) · Journal of Computational Chemistry · doi:10.1002/jcc.24300 · Cited by 3,723
The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table
van Setten, M. J., Giantomassi, M., Bousquet, É., Verstraete, M. J., Hamann, D. R., Gonze, X., & Rignanese, G. (2018) · Computer Physics Communications · doi:10.1016/j.cpc.2018.01.012 · Cited by 2,263
“[22, 37] This seems to suggest that the error originates from the freezing of the core rather than from pseudizing the valence electrons.”
BackgroundMethodInfluentialPseudopotentials periodic table: From H to Pu
Dal Corso, A. (2014) · Computational Materials Science · doi:10.1016/j.commatsci.2014.07.043 · Cited by 2,016
Reproducibility 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
“Alternative definitions of ∆ have recently appeared as well ( 27, 28 ), and essentially render the same information.”
Self-citationPrecision and efficiency in solid-state pseudopotential calculations
Prandini, G., Marrazzo, A., Castelli, I. E., Mounet, N., & Marzari, N. (2018) · npj Computational Materials · doi:10.1038/s41524-018-0127-2 · Cited by 917
Metadata
- Authors
- Jollet, F., Torrent, M., & Holzwarth, N.
- Affiliations
- Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR)
- Wake Forest University (US)
- Venue
- Computer Physics Communications
- Publisher
- Elsevier BV
- Published
- 2014-04
- Volume
- 185
- Issue
- 4
- Pages
- 1246-1254
- ISSN
- 0010-4655 (ISSN-L)
- OpenAlex
- W2122617276
- Cited by
- 313
- References
- 27
- Citations by year
- 2026: 37 · 2025: 35 · 2024: 33 · 2023: 24 · 2022: 32 · 2021: 16 · 2020: 30 · 2019: 32 · 2018: 21 · 2017: 20 · 2016: 21 · 2015: 9 · 2014: 3
- FWCI
- 8.79
- Type
- journal article
- Language
- en
- Open access
- green
- arxiv.org
- Locations
- Computer Physics Communications (publishedVersion)
- arXiv (Cornell University) (submittedVersion)
- arXiv (Cornell University)
- Funders
- National Science Foundation (DMR-1105485)
- Topics
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Advanced Chemical Physics Studies
- Physical Sciences › Materials Science › Materials Chemistry › Machine Learning in Materials Science
- Physical Sciences › Materials Science › Metals and Alloys › Thermodynamic and Structural Properties of Metals and Alloys
- Keywords
- projector augmented wave method, pseudopotentials, transferability, XML data format, periodic table elements, electronic structure simulation
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