The DOI matches its Crossref record; 30 of the 30 references it cites were found in a registry or an index.
Efficient projector expansion for the ab initio LCAO method
Abstract
A projector expansion method is presented for an efficient and accurate implementation of the first-principles electronic structure calculations using pseudopotentials and atomic basis functions. By expressing the rapidly varying local potential in the vicinity of nuclei by a separable projector expansion, the difficulty involved in the grid integration using the regular real-space grid is remarkably reduced without increasing the computational effort. To illustrate the capability, it is shown that the proposed method significantly suppresses not only a spurious oscillation in the energy curve for the atomic displacement involved in a weak interaction such as hydrogen bonding, but also the dependence of optimized structure on relative position to the real-space grid in the geometry optimization within a modest grid fineness.
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Cites
Generalized Gradient Approximation Made Simple
Perdew, J. P., Burke, K., & Ernzerhof, M. (1996) · Physical Review Letters · doi:10.1103/physrevlett.77.3865 · Cited by 215,824
Self-Consistent Equations Including Exchange and Correlation Effects
Kohn, W., & Sham, L. J. (1965) · Physical Review · doi:10.1103/physrev.140.a1133 · Cited by 64,135
Hohenberg, P., & Kohn, W. (1964) · Physical Review · doi:10.1103/physrev.136.b864 · Cited by 53,541
Self-interaction correction to density-functional approximations for many-electron systems
Perdew, J. P., & Zunger, A. (1981) · Physical Review B · doi:10.1103/physrevb.23.5048 · Cited by 20,887
Efficient pseudopotentials for plane-wave calculations
Troullier, N., & Martins, J. L. (1991) · Physical Review B · doi:10.1103/physrevb.43.1993 · Cited by 16,148
Ground State of the Electron Gas by a Stochastic Method
Ceperley, D. M., & Alder, B. J. (1980) · Physical Review Letters · doi:10.1103/physrevlett.45.566 · Cited by 14,384
The SIESTA method for ab initio order-N materials simulation
Soler, J. M., Artacho, E., Gale, J. D., García, A., Junquera, J., Ordejón, P., & Sánchez-Portal, D. (2002) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/14/11/302 · Cited by 12,218
An all-electron numerical method for solving the local density functional for polyatomic molecules
Delley, B. (1990) · The Journal of Chemical Physics · doi:10.1063/1.458452 · Cited by 10,536
Efficacious Form for Model Pseudopotentials
Kleinman, L., & Bylander, D. M. (1982) · Physical Review Letters · doi:10.1103/physrevlett.48.1425 · Cited by 5,672
Pseudopotentials that work: From H to Pu
Bachelet, G. B., Hamann, D. R., & Schlüter, M. (1982) · Physical Review B · doi:10.1103/physrevb.26.4199 · Cited by 3,385
Cited by
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
Self-citation
Metadata
- Authors
- Ozaki, T., & Kino, H.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2005-07-14
- Volume
- 72
- Issue
- 4
- ISSN
- 1098-0121 (ISSN-L)
- 1550-235X
- OpenAlex
- W2326488030
- Cited by
- 537
- References
- 30
- FWCI
- 3.89
- Type
- journal article
- Language
- en
- Open access
- closed
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