| Autor: |
Siłkowski, Michał, Pachucki, Krzysztof |
| Předmět: |
|
| Zdroj: |
Molecular Physics; Oct2022, Vol. 120 Issue 19/20, p1-9, 9p |
| Abstrakt: |
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. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
|
