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Importance of Angular Correlations between Atomic Electrons
Abstract
We present the results of some new calculations on two atomic problems---the correlation energy in the ground state of 2-electron atoms, and elastic scattering of slow electrons from hydrogen atoms---to show the relative importance of various angular components of the complete wave function. We conclude that, as a general rule, the use of just (relative) $s$ and $p$ waves will give quite accurate answers---with only a few percent errors at most; but to obtain higher precision one should abandon the Legendre polynomial expansion and use the coordinate ${r}_{12}$.
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Citations
Cited by
Polarization consistent basis sets: Principles
Jensen, F. (2001) · The Journal of Chemical Physics · doi:10.1063/1.1413524 · Cited by 678
Explicitly Correlated R12/F12 Methods for Electronic Structure
Kong, L., Bischoff, F. A., & Valeev, E. F. (2012) · Chemical Reviews · doi:10.1021/cr200204r · Cited by 509
Quantitative quantum chemistry
Helgaker, T., Klopper, W., & Tew, D. P. (2008) · Molecular Physics · doi:10.1080/00268970802258591 · Cited by 255
Metadata
- Authors
- Schwartz, C.
- Venue
- Physical Review
- Publisher
- American Physical Society (APS)
- Published
- 1962-05-01
- Volume
- 126
- Issue
- 3
- Pages
- 1015-1019
- ISSN
- 0031-899X (ISSN-L)
- OpenAlex
- W1998434228
- Cited by
- 523
- References
- 0
- FWCI
- 7.58
- Type
- journal article
- Language
- en
- Open access
- closed
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- Schwartz, C. (1962). Importance of Angular Correlations between Atomic Electrons. Physical Review. https://doi.org/10.1103/physrev.126.1015
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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).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.