Related papers: Electronic structure and rovibrational predissocia…
Adiabatic potential energy curves of the $^1\Sigma^+$ and $^1\Pi$ states of the LiH molecule have been calculated. They correlate asymptotically to atomic states, like 2s+1s, 2p+1s, 3s+1s, 3p+1s, 3d+1s, 4s+1s, 4p+1s and 4d+1s. Very good…
Analytic potentials are built for all four $^{2S+1}\Pi_{u/g}$ states of Li$_{2}$ dissociating to Li$(2S)$ + Li$(3P)$: $3b(3^{3}\Pi_{u})$, $3B(3^{1}\Pi_{u})$, $3C(3^{1}\Pi_{g}),$ and $3d(3^{3}\Pi_{g})$. These potentials include the effect of…
A comprehensive study of the electronic states at the 4s+5s asymptote in KRb is presented. Abundant spectroscopic data on the \astate state were collected by Fourier-transform spectroscopy which allow to determine an accurate experimental…
State-of-the-art ab initio techniques have been applied to compute the potential energy curves for the electronic states in the A^1\Sigma_u^+, c^3\Pi_u, and a^3\Sigma_u^+ manifold of the strontium dimer, the spin-orbit and nonadiabatic…
A potential energy curve (PEC) accurate to a fraction of 1 ppm ($1:10^6$) is computed for the $^3\Sigma_\mathrm{u}^+$ state of He$_2$ endowed with relativistic and QED corrections. The nuclear Schr\"odinger equation is solved on this PEC…
We investigate the LiF spectrum up to $7800$ cm$^{-1}$ above the first dissociation limit. The ab initio calculations of the adiabatic potentials and other molecular functions are performed in a wide range of interatomic separations,…
We report on a high-resolution spectroscopic survey of ${}^{6}\textrm{Li}{}^{40}\textrm{K}$ molecules near the $2\textrm{S}+4\textrm{P}$ dissociation threshold and produce a fully empirical representation for the $\textrm{B}^{1}\Pi$…
We report state-of-the-art ab initio calculations of the potential energy curve for the $a^3\Sigma_u^+$ state of the lithium dimer conducted to achieve spectroscopic accuracy ($<$1cm$^{-1}$) without any prior adjustment to fit the…
Analytical formulas for the excitation energies as well as for the electric quadrupole reduced transition probabilities in the ground, beta and gamma bands were derived within the coherent state model for the near vibrational and well…
Ultracold polar and magnetic ${}^{23}$Na${}^6$Li molecules in the rovibrational ground state of the lowest triplet $a^3\Sigma^+$ electronic state have been recently produced. Here, we calculate the electronic and rovibrational structure of…
The low energy systems of three or four neutrons are treated within the adiabatic hyperspherical framework, yielding an understanding of the low energy quantum states in terms of an adiabatic potential energy curve. The dominant low energy…
Long-range bound states of the excited heteronuclear 3He*--4He* system that dissociate to either 3He(1s2s 3S_1) + 4He(1s2p 3P_j) or 3He(1s2p 3P_j) + 4He(1s2s 3S_1), where j=0, 1, 2, are investigated using both single-channel and…
In our model the electron dynamics are described by a two-state approximation. This might appear a rough approximation since it neglects coupling through excited electronic states and ionization channels. However at high intensity (laser…
The experimentally-observed non-trivial electronic structure of the Cr$_2$ dimer has made the calculation of its potential energy curve a theoretical challenge in the last decades. By matching the perturbation theory at small internuclear…
We build the first analytic empirical potential for the most deeply bound $\mbox{Li}_{2}$ state: $b\left(1^{3}\Pi_{u}\right)$. Our potential is based on experimental energy transitions covering $v=0-34$, and very high precision theoretical…
We calculate accurate potential energy curves for a ground-state He$^+$ ion interacting with a He atom in the lowest-energy metastable $^3\!S$ electronic state. We employ the full configuration interaction method, equivalent to exact…
The structure of the second 2$^+$ resonance in $^{6}$Li is investigated with special emphasis on its isospin 0 components. The wave functions are computed in a three-body model ($\alpha$+$n$+$p$) using the hyperspherical adiabatic expansion…
Accurate photodissociation cross sections have been computed for transitions from the X $^1\Sigma^+$ ground electronic state of CS to six low-lying excited electronic states. New ab initio potential curves and transition dipole moment…
Relativistic, quantum electrodynamics, as well as non-adiabatic corrections and couplings, are computed for the b $^3\Pi_\mathrm{g}$ and c $^3\Sigma_\mathrm{g}^+$ electronic states of the helium dimer. The underlying Born-Oppenheimer…
New ab initio potential energy surfaces for the doublet pi ground electronic state of the Ar-SH complex are presented, calculated at the RCCSD(T)/aug-cc-pV5Z level. Weakly bound rotation-vibration levels are calculated using coupled-channel…