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Theory of self-consistent electron pairs. An iterative method for correlated many-electron wavefunctions
Abstract
A rapidly converging iterative method is presented to solve the many-electron Schrödinger equation within a Hilbert space confined to functions with at most two electrons outside an internal space defined by the orbitals of a reference function. The wavefunction is given in terms of external two-electron clusters represented by coefficients and density matrices referring directly to the basis functions. All matrix elements are obtained from generalized Coulomb and exchange operators. Only one operator per correlated electron pair is required for each iteration cycle.
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Citations
Cited by
Hampel, C., Peterson, K. A., & Werner, H.-J. (1992) · Chemical Physics Letters · doi:10.1016/0009-2614(92)86093-w · Cited by 1,643
Avoiding the integral storage bottleneck in LCAO calculations of electron correlation
Sæbø, S., & Almlöf, J. (1989) · Chemical Physics Letters · doi:10.1016/0009-2614(89)87442-1 · Cited by 773
Saitow, M., Becker, U., Riplinger, C., Valeev, E. F., & Neese, F. (2017) · The Journal of Chemical Physics · doi:10.1063/1.4981521 · Cited by 423
Local perturbative triples correction (T) with linear cost scaling
Schütz, M., & Werner, H.-J. (2000) · Chemical Physics Letters · doi:10.1016/s0009-2614(00)00066-x · Cited by 329
A unitary multiconfigurational coupled-cluster method: Theory and applications
Hoffmann, M. R., & Simons, J. (1988) · The Journal of Chemical Physics · doi:10.1063/1.454125 · Cited by 193
Metadata
- Authors
- Meyer, W.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1976-04-01
- Volume
- 64
- Issue
- 7
- Pages
- 2901-2907
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2084665482
- Cited by
- 353
- References
- 0
- FWCI
- 7.46
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Theory of self-consistent electron pairs. An iterative method for correlated many-electron wavefunctions. https://app.cochat.ai/papers/10.1063/1.432551
- The paper
- Meyer, W. (1976). Theory of self-consistent electron pairs. An iterative method for correlated many-electron wavefunctions. The Journal of Chemical Physics. https://doi.org/10.1063/1.432551
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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.
