The DOI matches its Crossref record; 3 of the 3 references it cites were found in a registry or an index.
A “Level–Shifting” method for converging closed shell Hartree–Fock wave functions
Abstract
A discussion of Hartree damping in closed‐shell Hartree‐Fock theory is given indicating when the method might force convergence of intrinsically divergent cases. An alternative, but closely related principle, “level shifting” is described, and the advantages of the latter procedure discussed.
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Citations
Cites
New Developments in Molecular Orbital Theory
Roothaan, C. C. J. (1951) · Reviews of Modern Physics · doi:10.1103/revmodphys.23.69 · Cited by 5,519
Self-Consistent Field Theory for Open Shells of Electronic Systems
Roothaan, C. C. J. (1960) · Reviews of Modern Physics · doi:10.1103/revmodphys.32.179 · Cited by 1,976
Optimization of SCF LCAO wave functions
Fletcher, R. (1970) · Molecular Physics · doi:10.1080/00268977000101001 · Cited by 104
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Janet, J. P., & Kulik, H. J. (2017) · The Journal of Physical Chemistry A · doi:10.1021/acs.jpca.7b08750 · Cited by 289
Janet, J. P., Ramesh, S., Duan, C., & Kulik, H. J. (2020) · ACS Central Science · doi:10.1021/acscentsci.0c00026 · Cited by 200
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Metadata
- Authors
- Saunders, V. R., & Hillier, I. H.
- Venue
- International Journal of Quantum Chemistry
- Publisher
- Wiley
- Published
- 1973-07
- Volume
- 7
- Issue
- 4
- Pages
- 699-705
- ISSN
- 0020-7608 (ISSN-L)
- 1097-461X
- OpenAlex
- W2163052154
- Cited by
- 359
- References
- 3
- FWCI
- 4.07
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: A “Level–Shifting” method for converging closed shell Hartree–Fock wave functions. https://app.cochat.ai/papers/10.1002/qua.560070407
- The paper
- Saunders, V. R., & Hillier, I. H. (1973). A “Level–Shifting” method for converging closed shell Hartree–Fock wave functions. International Journal of Quantum Chemistry. https://doi.org/10.1002/qua.560070407
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