The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Cusp Conditions for Molecular Wavefunctions
Abstract
The conditions on the behavior of a wavefunction for a system of charged particles near the coalescence of any two of them are derived. The new features of the derivation are: (a) the fixed-nucleus approximation is not required; (b) the wavefunction is not spherically averaged; (c) the wavefunction can have a node at the singularity; and (d) the consequences of the two particles being identical are examined. In addition to the general treatment, the electron—nucleus cusp conditions for diatomic molecules are discussed in detail.
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Cites
Methods of Theoretical Physics
Morse, P. M., Feshbach, H., & Hill, E. L. (1954) · American Journal of Physics · doi:10.1119/1.1933765 · Cited by 13,197
Cited by
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
Initiation of explicitly correlated Slater-type geminal theory
Ten-no, S. (2004) · Chemical Physics Letters · doi:10.1016/j.cplett.2004.09.041 · Cited by 490
Kong, L., & Valeev, E. F. (2010) · The Journal of Chemical Physics · doi:10.1063/1.3499600 · Cited by 33
Metadata
- Authors
- Pack, R. T., & Brown, W. B.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1966-07-15
- Volume
- 45
- Issue
- 2
- Pages
- 556-559
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W1985841451
- Cited by
- 504
- References
- 1
- FWCI
- 3.18
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Cusp Conditions for Molecular Wavefunctions. https://app.cochat.ai/papers/10.1063/1.1727605
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- Pack, R. T., & Brown, W. B. (1966). Cusp Conditions for Molecular Wavefunctions. The Journal of Chemical Physics. https://doi.org/10.1063/1.1727605
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