Long-range asymptotics of exchange energy in the hydrogen molecule

29 Apr 2020 Siłkowski Michał Pachucki Krzysztof

The exchange energy, i.e. the splitting $\Delta E$ between gerade and ungerade states in the hydrogen molecule has proven very difficult in numerical calculation at large internuclear distances $R$, while known results are sparse and highly inaccurate. On the other hand, there are conflicting analytical results in the literature concerning its asymptotics... (read more)

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