Exact Results in Quantum Theory
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Michał Siłkowski (IFT UW)
Long-range asymptotics of exchange energy in the hydrogen molecule. Part II
Studies on exchange energy in molecular systems reach back to the early days of quantum mechanics. Its asymptotic form is known to be exponentially small for large internuclear distances. However, the prefactor and next-to-leading order term still raise controversy, even in the case of the simplest model of atom-atom interactions — the hydrogen molecule. I will summarize analytical approaches aiming to extract this asymptotics and conclude with our numerical calculations in explicitly correlated exponential basis, which resolve this controversy.
https://meet.google.com/jnt-qsco-qak?hs=122&authuser=0
https://meet.google.com/jnt-qsco-qak?hs=122&authuser=0
Studies on exchange energy in molecular systems reach back to the early days of quantum mechanics. Its asymptotic form is known to be exponentially small for large internuclear distances. However, the prefactor and next-to-leading order term still raise controversy, even in the case of the simplest model of atom-atom interactions — the hydrogen molecule. I will summarize analytical approaches aiming to extract this asymptotics and conclude with our numerical calculations in explicitly correlated exponential basis, which resolve this controversy.
https://meet.google.com/jnt-qsco-qak?hs=122&authuser=0
https://meet.google.com/jnt-qsco-qak?hs=122&authuser=0