The DOI matches its Crossref record; 4 of the 4 references it cites were found in a registry or an index.
Self-consistent molecular orbital methods. XVIII. Constraints and stability in Hartree–Fock theory
Abstract
Constraints that may be applied to the spin orbitals used in Hartree–Fock theory are classified and discussed. Once a constrained stationary wavefunction has been obtained by a self-consistent procedure, it may be tested for stability both internally (with constraints remaining) and externally (with some constraints removed). Methods for carrying out these tests are presented. In addition, a general technique is described for further energy minimization following detection of an instability.
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Citations
Cites
The Quantum Mechanics of Many-Body Systems
(1961) · Pure and Applied Physics · doi:10.1016/c2013-0-12313-6 · Cited by 917
Discussion on The Hartree-Fock Approximation
Lykos, P., & Pratt, G. W. (1963) · Reviews of Modern Physics · doi:10.1103/revmodphys.35.496 · Cited by 366
Stability of Hartree-Fock States
Adams, W. H. (1962) · Physical Review · doi:10.1103/physrev.127.1650 · Cited by 132
Seeger, R., & Pople, J. A. (1976) · The Journal of Chemical Physics · doi:10.1063/1.432764 · Cited by 81
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Cited by
Recent developments in the P y SCF program package
Sun, Q., Zhang, X., Banerjee, S., Bao, P., Barbry, M., Blunt, N. S., Bogdanov, N. A., Booth, G. H., Chen, J., Cui, Z.-H., et al. (2020) · The Journal of Chemical Physics · doi:10.1063/5.0006074 · Cited by 1,259
Influence of Triplet Instabilities in TDDFT
Peach, M. J. G., Williamson, M. J., & Tozer, D. J. (2011) · Journal of Chemical Theory and Computation · doi:10.1021/ct200651r · Cited by 384
Structure and energetic of Bn (n = 2–12) clusters: Electronic structure calculations
Atiş, M., Özdoğan, C., & Güvenç, Z. B. (2007) · International Journal of Quantum Chemistry · doi:10.1002/qua.21171 · Cited by 60
Metadata
- Authors
- Seeger, R., & Pople, J. A.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1977-04-01
- Volume
- 66
- Issue
- 7
- Pages
- 3045-3050
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2062745494
- Cited by
- 710
- References
- 4
- FWCI
- 1.19
- Type
- journal article
- Language
- en
- Open access
- closed
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