DOI: 10.1063/1.1734545. Testing of Diatomic Potential-Energy Functions by Numerical Methods

Testing of Diatomic Potential-Energy Functions by Numerical Methods

10.1063/1.1734545

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

An accurate and efficient numerical method of solving the radial Schrödinger equation for a diatomic molecule has been employed in two tests relating to approximate potential functions. First, quantitative estimates have been made of the errors in the approximate eigenvalue equation derived by Pekeris for the rotating Morse oscillator. Secondly, as an example of testing a potential function for which no analytic solution is known, the eigenvalues of the Clinton potential have been compared with those of the Morse and with experiment.

Bibliography

Cashion, J. K. (1963). Testing of Diatomic Potential-Energy Functions by Numerical Methods. The Journal of Chemical Physics, 39(7), 1872â1877.

Authors 1

J. K. Cashion (first)

References 16 Referenced 241

10.1103/RevModPhys.29.664 / Rev. Mod. Phys. (1957)
10.1103/PhysRev.41.713 / Phys. Rev. (1932)
10.1139/p60-022 / Can. J. Phys. (1960)
{'key': '2024020821474360300_r4', 'first-page': '98', 'volume': '41', 'year': '1934', 'journal-title': 'Phys. Rev.'} / Phys. Rev. (1934)
10.1063/1.1732555 / J. Chem. Phys. (1962)
10.1063/1.1732556 / J. Chem. Phys. (1962)
10.1103/PhysRev.34.57 / Phys. Rev. (1929)
{'key': '2024020821474360300_r7', 'first-page': '363', 'volume': 'XV', 'year': '1961', 'journal-title': 'Math. Computation'} / Math. Computation (1961)
{'key': '2024020821474360300_r8'}
{'key': '2024020821474360300_r9', 'first-page': '188', 'volume': '2', 'year': '1933', 'journal-title': 'Publ. Observatoire Central Astroph. Russ.'} / Publ. Observatoire Central Astroph. Russ. (1933)
{'key': '2024020821474360300_r10'}
{'key': '2024020821474360300_r11'}
{'key': '2024020821474360300_r12'}
{'key': '2024020821474360300_r13'}
10.1103/PhysRev.70.222 / Phys. Rev. (1946)
10.1364/JOSA.52.000001 / J. Opt. Soc. Am. (1962)

Dates

Type	When
Created	20 years, 7 months ago (Jan. 5, 2005, 10:57 p.m.)
Deposited	1 year, 6 months ago (Feb. 8, 2024, 4:47 p.m.)
Indexed	4 months, 1 week ago (April 9, 2025, 6:26 a.m.)
Issued	61 years, 10 months ago (Oct. 1, 1963)
Published	61 years, 10 months ago (Oct. 1, 1963)
Published Print	61 years, 10 months ago (Oct. 1, 1963)

Funders 0

None

BibTeX

@article{Cashion_1963, title={Testing of Diatomic Potential-Energy Functions by Numerical Methods}, volume={39}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1734545}, DOI={10.1063/1.1734545}, number={7}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Cashion, J. K.}, year={1963}, month=oct, pages={1872–1877} }

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