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- W4223651269 abstract "We report on accurate variational calculations of the Born–Oppenheimer potential for excited states of the hydrogen molecule with Π,Δ, and Φ symmetries. The obtained potential energy curves reach the relative precision of 10−9 or better along internuclear distances of 0.01–20 au. Calculations rely on the recursive evaluation of two-centre two-electron molecular integrals with exponential functions in arbitrary precision arithmetics. Our results for most of the states are the first-ever reported, and for the previously calculated states constitute an improvement by several orders of magnitude." @default.
- W4223651269 created "2022-04-15" @default.
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- W4223651269 date "2022-04-12" @default.
- W4223651269 modified "2023-10-18" @default.
- W4223651269 title "Born–Oppenheimer potentials for Π, Δ, and Φ states of the hydrogen molecule" @default.
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- W4223651269 doi "https://doi.org/10.1080/00268976.2022.2062471" @default.
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