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The Ground State of the Hydrogen Molecule
Abstract
The method used by Hylleraas in treating the He atom has been extended to the H2 molecule. The method consists of setting up a wave function as a series in the five variables required, electronic separation being introduced explicitly as one of the variables. The coefficients are then determined so as to produce the lowest energy. The energy found is within 0.03 v.e. of the most probable experimental value, while the form and location of the potential energy curve for various internuclear distances agree with those deduced from spectra to within similar limits. The value of the function is computed for several configurations of the electrons, and compared with other approximations. Application of the method to other problems is discussed. A method is given for the numerical solution of secular equations of high degree.
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Citations
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
Quantitative quantum chemistry
Helgaker, T., Klopper, W., & Tew, D. P. (2008) · Molecular Physics · doi:10.1080/00268970802258591 · Cited by 255
Bubin, S., Pavanello, M., Tung, W.-C., Sharkey, K. L., & Adamowicz, L. (2013) · Chemical Reviews · doi:10.1021/cr200419d · Cited by 175
The history and evolution of configuration interaction
SHAVITT, I. (1998) · Molecular Physics · doi:10.1080/002689798168303 · Cited by 146
Metadata
- Authors
- James, H. M., & Coolidge, A. S.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1933-12-01
- Volume
- 1
- Issue
- 12
- Pages
- 825-835
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2063377731
- Cited by
- 626
- References
- 0
- FWCI
- 15.79
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: The Ground State of the Hydrogen Molecule. https://app.cochat.ai/papers/10.1063/1.1749252
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- James, H. M., & Coolidge, A. S. (1933). The Ground State of the Hydrogen Molecule. The Journal of Chemical Physics. https://doi.org/10.1063/1.1749252
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