Following the first principles elements of analytic theory potential curves for diatomic molecules (diatomics) are presented. It is based on matching perturbation at small internuclear distances $R$ and multipole expansion large distances, modified by instanton-induced trans-series homonuclear case, with addition phenomenologically described equilibrium configuration, if exists. leads to a new ...

The interest in theoretical and experimental investigations of diatomic molecules is recently increasing due to the attempts to achieve Bose-Einstein condensates of a larger variety of atoms, since the stability of the condensates depends critically on the scattering behaviour, especially the scattering length, of the atoms that should form the condensate. A second motivation for more detailed ...

We present a theoretical approach for ab initio calculations of the one-loop QED corrections to energy levels heavy diatomic quasimolecules. This is based on partial-wave expansion molecular wave and Green's functions in basis monopole solutions, written spherical coordinates. By using so-generated functions, we employ existing atomic-physics techniques evaluate self-energy vacuum-polarization ...

Diatomic polar molecules are one of the most promising platforms quantum computing due to their rich internal states and large electric dipole moments. Here, we propose entangling rotational adjacent via a strong dipole-dipole interaction. The splitting 1.27 kHz between two entangled is predicted for MgF in an optical tweezer array. resolution can be achieved magic potential where have same tra...

The influence of the mass in the photodissociation dynamics of a homonuclear diatomic molecule (X2), embedded in a superfluid helium nanodroplet (T = 0.37 K) of 300 atoms, has been investigated using a hybrid quantum dynamics method recently proposed by us. Several hypothetical isotopic variants of Cl2 have been examined in order to make possible the analysis of a wide diversity of masses (mX: ...

We pursue the development and application of the recently introduced linear optimization method for determining the optimal linear and nonlinear parameters of Jastrow-Slater wave functions in a variational Monte Carlo framework. In this approach, the optimal parameters are found iteratively by diagonalizing the Hamiltonian matrix in the space spanned by the wave function and its first-order der...

In this review, we address computation of diatomic molecular spectra. An overview of the theory is discussed based on symmetries of the diatomic molecule. The standard quantum theory of angular momentum fully accounts for the rotational states of the diatomic molecule. Details are elaborated in view of standard versus anomalous commutators for generation of a synthetic spectrum. Specific exampl...