We observe a series of conical intersections in the potential energy curves governing both
the collision between a Rydberg atom and a ground-state atom and the structure of Rydberg …

Ultralong-range Rydberg molecules (ULRMs) are highly imbalanced bound systems formed
via the low-energy scattering of a Rydberg electron with a ground-state atom. We investigate …

Ultracold diatomic molecules find application in quantum studies ranging from controlled
chemistry and precision measurement physics to quantum many-body simulation and …

The (time-independent) Schrödinger equation for atomistic systems is solved by using the
adiabatic potential energy curves (PECs) and the associated adiabatic approximation. In …

Accurate potential energy curves (PECs) are obtained for 20 lowest lying electronic states of
the NaLi molecule. The computational scheme used here is based on the multireference …

This paper presents an extensive ab initio investigation of the electronic properties and
elastic collisions of charged diatomic systems FrLi+ and FrNa+. We employ an accurate ab …

High-level ab initio calculations were performed to determine the structural features,
electronic characteristics and transitional properties of LiSb+, which is a hitherto …

The FrLi molecule has not yet been well reported. In this paper, potential energy curves, as
well as relevant permanent and transition dipole moments, for X 1 Σ+–10 1 Σ+, 1 3 Σ+–10 3 …

The ground and 10 lowest excited^ 1 Σ _ g^+ adiabatic electronic states of the Na 2 dimer
are calculated using the pseudopotential method. The use of the basis 7 s 6 p 5 d 4 f of …

In this cumulative thesis, we investigate ultra-long-range Rydberg molecules (ULRM),
consisting of one highly excited Rydberg atom and one or several ground-state atoms, and …