The DOI matches its Crossref record; 24 of the 24 references it cites were found in a registry or an index.
A reciprocal space based method for treating long range interactions in ab initio and force-field-based calculations in clusters
Abstract
A new reciprocal space based formalism for treating long range forces in clusters is presented. It will be shown how the new formalism can be incorporated into plane-wave based density function theory calculations, standard Ewald summation calculations, and smooth particle-mesh Ewald calculations to yield accurate and numerically efficient descriptions of long range interactions in cluster systems.
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Cites
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A smooth particle mesh Ewald method
Essmann, U., Perera, L., Berkowitz, M. L., Darden, T., Lee, H., & Pedersen, L. G. (1995) · The Journal of Chemical Physics · doi:10.1063/1.470117 · Cited by 22,514
(2020) · Electromagnetic Processes · doi:10.2307/j.ctv131bv37.5 · Cited by 21,966
Self-interaction correction to density-functional approximations for many-electron systems
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Efficient pseudopotentials for plane-wave calculations
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Computer Simulation Using Particles
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Cited by
Kühne, T. D., Iannuzzi, M., Del Ben, M., Rybkin, V. V., Seewald, P., Stein, F., Laino, T., Khaliullin, R. Z., Schütt, O., Schiffmann, F., et al. (2020) · The Journal of Chemical Physics · doi:10.1063/5.0007045 · Cited by 4,468
Real-space grid implementation of the projector augmented wave method
Mortensen, J. J., Hansen, L. B., & Jacobsen, K. W. (2005) · Physical Review B · doi:10.1103/physrevb.71.035109 · Cited by 2,072
Noncovalent interactions: A challenge for experiment and theory
Müller-Dethlefs, K., & Hobza, P. (2000) · Chemical Reviews · doi:10.1021/cr9900331 · Cited by 1,781
Brunk, E., & Rothlisberger, U. (2015) · Chemical Reviews · doi:10.1021/cr500628b · Cited by 494
Buch, V., Milet, A., Vácha, R., Jungwirth, P., & Devlin, J. P. (2007) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0611285104 · Cited by 398
Metadata
- Authors
- Martyna, G. J., & Tuckerman, M. E.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1999-02-08
- Volume
- 110
- Issue
- 6
- Pages
- 2810-2821
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2019321155
- Cited by
- 687
- References
- 24
- FWCI
- 6.96
- Type
- journal article
- Language
- en
- Open access
- closed
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- Martyna, G. J., & Tuckerman, M. E. (1999). A reciprocal space based method for treating long range interactions in ab initio and force-field-based calculations in clusters. The Journal of Chemical Physics. https://doi.org/10.1063/1.477923
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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.
