Zobrazeno 1 - 8
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pro vyhledávání: '"Siłkowski, Michał"'
We perform highly accurate calculations of the leading order QED correction to the ground electronic state of molecular hydrogen. Numerical results are obtained for a grid of the internuclear distances $R=0-10$ au with the relative precision of about
Externí odkaz:
http://arxiv.org/abs/2301.07481
Autor:
Siłkowski, Michał, Pachucki, Krzysztof
We report on accurate variational calculations of the Born-Oppenheimer potential for excited states of the hydrogen molecule with $\Pi$, $\Delta$, and $\Phi$ symmetries. The obtained potential energy curves reach the relative precision of $10^{-9}$ o
Externí odkaz:
http://arxiv.org/abs/2203.12080
We report on highly accurate calculations of Born-Oppenheimer potentials for excited $n\,\Sigma^{+}$ states of the hydrogen molecule for all possible combinations of singlet/triplet and gerade/ungerade symmetries up to $n=7$. A relative accuracy of $
Externí odkaz:
http://arxiv.org/abs/2104.03174
Autor:
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 inaccurat
Externí odkaz:
http://arxiv.org/abs/2001.04111
Publikováno v:
published in J. Chem. Phys. 142, 124102 (2015)
Explicitly correlated quantum chemical calculations require calculations of five types of molecular integrals beyond the standard electron repulsion integrals. We present a novel scheme, which utilises general ideas of the McMurchie-Davidson techniqu
Externí odkaz:
http://arxiv.org/abs/1412.5070
Chapter Twelve - Accurate Born-Oppenheimer potentials for excited Σ+ states of the hydrogen molecule
Publikováno v:
In Advances in Quantum Chemistry 2021 83:255-267
Autor:
Siłkowski, Michał, Pachucki, Krzysztof
Publikováno v:
Molecular Physics; Oct2022, Vol. 120 Issue 19/20, p1-9, 9p
Akademický článek
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