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• W1995348543 endingPage "1156" @default.
• W1995348543 startingPage "1144" @default.
• W1995348543 abstract "For nearly all states below the ionic limit [i.e., Li(2s, 2p, 3s, 3p, 3d, 4s, and 4p)+H] we perform the first adiabatic and diabatic studies. This treatment involves a nonempirical pseudopotential for Li and a full configuration-interaction treatment of the valence-electron system. Core–valence correlation is taken into account according to a core-polarization-potential method. We present an analysis of the diabatic curves and introduce appropriate small corrections accounting for basis-set limitations. For the low-lying states, our vibrational level spacings and spectroscopic constants are in excellent agreement with the available experimental data and with the best all-electron results. Experimental suggestions are given for the higher states." @default.
• W1995348543 created "2016-06-24" @default.
• W1995348543 creator A5072526209 @default.
• W1995348543 creator A5074937686 @default.
• W1995348543 date "1992-07-15" @default.
• W1995348543 modified "2023-10-18" @default.
• W1995348543 title "<i>Ab</i> <i>initio</i> adiabatic and diabatic potential-energy curves of the LiH molecule" @default.
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• W1995348543 doi "https://doi.org/10.1063/1.463242" @default.
• W1995348543 hasPublicationYear "1992" @default.
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