Variational calculations on the hydrogen molecular ion

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Variational calculations on the hydrogen molecular ion

We present high-precision non-relativistic variational calculations of bound vibrational-rotational state energies for the H2 + and D2 + molecular ions in each of the lowest electronic states of Σg, Σu, and Πu symmetry. The calculations are carried out including coupling between Σ and Π states but without using the Born-Oppenheimer or any adiabatic approximation. Convergence studies are present...

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2 1 N ov 1 99 8 Variational calculations on the hydrogen molecular ion

We present high-precision non-relativistic variational calculations of bound vibrational-rotational state energies for the H2 + and D2 + molecular ions in each of the lowest electronic states of Σg, Σu, and Πu symmetry. The calculations are carried out including coupling between Σ and Π states but without using the Born-Oppenheimer or any adiabatic approximation. Convergence studies are present...

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to finality, and it is our present intention to refine and extend this work as much as possible on the experimental side. 1 B. Davis, Physic. Rev., 9, 64 (1917). 2 D. L. Webster, Ibid., 9, 220 (1917). 8 B. Davis, Ibid., 11, 433 (1918). 4 D. L. Webster and A. E. Hennings, Ibid., 21, 312 (1923). ' H. A. Kramers, Phil. Mag., 46, 869 (1923). 6 W. W. Nicholas, Physic. Rev., 29, 619 (1927). 7 A. Jons...

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ژورنال

عنوان ژورنال: Molecular Physics

سال: 1999

ISSN: 0026-8976,1362-3028

DOI: 10.1080/002689799163884