The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Concerning the applicability of density functional methods to atomic and molecular negative ions
Abstract
There is concern within theoretical chemistry that density functional methods are fundamentally in error for negative ions. We have tested this hypothesis by evaluating electron affinities for F and F2 with a variety of density functionals and extremely large, diffuse basis sets. In addition, we have observed the behavior of a known unbound system Ne−. We have found no convincing evidence to support the claims of negative ion instability with density functional methods.
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Cites
A new mixing of Hartree–Fock and local density-functional theories
Becke, A. D. (1993) · The Journal of Chemical Physics · doi:10.1063/1.464304 · Cited by 16,515
Cited by
Atomic and Molecular Electron Affinities: Photoelectron Experiments and Theoretical Computations
Rienstra-Kiracofe, J. C., Tschumper, G. S., Schaefer, H. F., Nandi, S., & Ellison, G. B. (2002) · Chemical Reviews · doi:10.1021/cr990044u · Cited by 1,258
Self-citationConstrained Density Functional Theory and Its Application in Long-Range Electron Transfer
Wu, Q., & Van Voorhis, T. (2006) · Journal of Chemical Theory and Computation · doi:10.1021/ct0503163 · Cited by 323
Metadata
- Authors
- Galbraith, J. M., & Schaefer, H. F.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1996-07-08
- Volume
- 105
- Issue
- 2
- Pages
- 862-864
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2005480450
- Cited by
- 208
- References
- 1
- FWCI
- 12.48
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Concerning the applicability of density functional methods to atomic and molecular negative ions. https://app.cochat.ai/papers/10.1063/1.471933
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- Galbraith, J. M., & Schaefer, H. F. (1996). Concerning the applicability of density functional methods to atomic and molecular negative ions. The Journal of Chemical Physics. https://doi.org/10.1063/1.471933
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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).
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