Theoretical potential energy curves and spectroscopic properties of the X2Σu+ and A2Σg+ states of He2+

A. Khan; K. D. Jordan

doi:10.1016/0009-2614(86)80379-7

Theoretical potential energy curves and spectroscopic properties of the X²Σ_u⁺ and A2Σ_g⁺ states of He₂⁺

A. Khan, K. D. Jordan

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Abstract

The MC SCF procedure is utilized to determine the potential energy curves of the first two states of He₂⁺ and to determine the spectroscopic constants of the ground state. The resulting spectroscopic constants are in significantly better agreement with experiment than are the predictions of prior theoretical studies.

Original language	English (US)
Pages (from-to)	368-371
Number of pages	4
Journal	Chemical Physics Letters
Volume	128
Issue number	4
DOIs	https://doi.org/10.1016/0009-2614(86)80379-7
State	Published - Aug 1 1986

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0009-2614(86)80379-7

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title = "Theoretical potential energy curves and spectroscopic properties of the X2Σu+ and A2Σg+ states of He2+",

abstract = "The MC SCF procedure is utilized to determine the potential energy curves of the first two states of He2+ and to determine the spectroscopic constants of the ground state. The resulting spectroscopic constants are in significantly better agreement with experiment than are the predictions of prior theoretical studies.",

author = "A. Khan and Jordan, \{K. D.\}",

note = "Funding Information: This work was carried out with support from the National ScienceF oundation. We wish to thank D. Martin and K. Sum1f or assistancew ith someo f the calculations.",

year = "1986",

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doi = "10.1016/0009-2614(86)80379-7",

language = "English (US)",

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T1 - Theoretical potential energy curves and spectroscopic properties of the X2Σu+ and A2Σg+ states of He2+

AU - Khan, A.

AU - Jordan, K. D.

N1 - Funding Information: This work was carried out with support from the National ScienceF oundation. We wish to thank D. Martin and K. Sum1f or assistancew ith someo f the calculations.

PY - 1986/8/1

Y1 - 1986/8/1

N2 - The MC SCF procedure is utilized to determine the potential energy curves of the first two states of He2+ and to determine the spectroscopic constants of the ground state. The resulting spectroscopic constants are in significantly better agreement with experiment than are the predictions of prior theoretical studies.

AB - The MC SCF procedure is utilized to determine the potential energy curves of the first two states of He2+ and to determine the spectroscopic constants of the ground state. The resulting spectroscopic constants are in significantly better agreement with experiment than are the predictions of prior theoretical studies.

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VL - 128

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JO - Chemical Physics Letters

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Theoretical potential energy curves and spectroscopic properties of the X²Σ_u⁺ and A2Σ_g⁺ states of He₂⁺

Abstract

All Science Journal Classification (ASJC) codes

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