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Configuration interaction calculations on the X1Sigma+ground state and low-lying A1Pi and1Delta excited states of the PN molecule. II. Potential energy curves of the A1Pi and1Delta excited states of PN and spectroscopic properties

Autor: J J A Koot, David Feller, G de Brouckere

Publikováno v: Journal of Physics B: Atomic, Molecular and Optical Physics. 26:1915-1934

For pt.I see ibid., vol.25, no.21, p.4433-46 (1992). CI calculations have been performed on the A 1 Pi and 1 Delta states of PN in the vicinity of their respective equilibrium geometries, yielding spectroscopic constants in good agreement with the av

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0bab422abbb1d2a1519b406bfa87327c
https://doi.org/10.1088/0953-4075/26/13/014

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Configuration interaction calculations on the X1Sigma+ground state and low-lying A1Pi and1Delta excited states of the PN molecule. I. Potential energy curve of the X1Sigma+state of PN. Miscellaneous spectroscopic observables

Autor: David Feller, J J A Koot, G. Berthier, G de Brouckere

Publikováno v: Journal of Physics B: Atomic, Molecular and Optical Physics. 25:4433-4445

A series of multireference configuration interaction (CI) calculations using an extended Gaussian basis set have been performed on the X1 Sigma + ground state of the PN molecule in order to accurately determine the potential energy surface in the vic

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::1ea9b74dcbd88907956334436828865b
https://doi.org/10.1088/0953-4075/25/21/011

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