mgr inż. Piotr Łobacz
Zatrudnienie
Słowa kluczowe Pomoc
Kontakt
- Brak danych
Wybrane publikacje
-
Theoretical study of highly-excited states of KRb molecule
Semi-empirical adiabatic potential energy curves of highly excited states of the KRb molecule are calculated as a function of the internuclear distance R over a wide range from 3 to 150 a0. The diatomic molecule is treated as an effective two-electron system by using the large core pseudopotentials and core polarization potentials. All calculations are performed by using the nonrelativistic CASSCF/MRCI method with accurate basis...
wyświetlono 640 razy