Related papers: The double minimum E(3)$^1\Sigma^{+}_{\mathrm{u}}$…
The polarisation labelling spectroscopy technique was applied to study the C$^1\Pi_{\mathrm{u}}$ $\leftarrow$ X$^1\Sigma^{+}_{\mathrm{g}}$ band system in potassium dimer. About 1100 new rotationally resolved molecular lines were measured in…
We report ab initio calculations of the X $^2 \Sigma_{u}^+ $ and B $^2 \Sigma_{g}^+$ states of the Be$_{2}^+$ dimer. Full valence configuration interaction calculations were performed using the aug-cc-pVnZ basis sets and the results were…
Accurate absolute level energies of the $B\,^1\Sigma^{+}_{u}$, $v=0-8, N$ and $EF\,^{1}\Sigma^{+}_{g}$, $v=0-21, N$ rovibrational quantum states of molecular deuterium are derived by combining results from a Doppler-free two-photon laser…
We report \textit{ab initio} calculations of the X $^2 \Sigma_{u}^+$, A $^2\Pi_u$ and B $^2 \Sigma_{g}^+$ states of the Ca$_{2}^+$ dimer. All electron CAS+MRCI calculations are performed for the X $^2 \Sigma_{u}^+$ and B $^2 \Sigma_{g}^+$…
We describe a modification of the inverted perturbation approach method allowing to construct physically sensible potential energy curves for electronic states of diatomic molecules even when some parts of the potential are not adequately…
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…
Polarisation labelling spectroscopy technique was employed to study the 3$^{1}\Pi_{u}$ state of Cs$_2$ molecule. The main equlibrium constants are $T_e=20684.60$cm$^{-1}$, $\omega_e=30.61$cm$^{-1}$ and $R_e=5.27$\r{A}. Vibrational levels…
We present experimentally derived potential curves and spin-orbit interaction functions for the strongly perturbed $A^{1}\Sigma_{u}^{+}$ and $b^{3}\Pi_{u}$ states of the cesium dimer. The results are based on data from several sources.…
We report a systematic study of the C(2)$^1\Pi_u$ electronic state in rubidium dimer, observed in polarization labelling spectroscopy experiment through the C $\leftarrow$ X$^{1}\Sigma^{+}_{g}$ transitions recorded under rotational…
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}$) without any prior adjustment to fit the…
The coupled states A^{1}\Sigma_{u}^{+} (^{1}D +}1}S), c^{3}\Pi_{u} (^{3}P + ^{1}S) and a^{3}\Sigma_{u}^{+} (^{3}P +}1}S) of the calcium dimer are investigated in a laser induced fluorescence experiment combined with high-resolution…
The electronic structure of Ce2 is studied in a valence bond model with two 4f electrons localized at two cerium sites. It is shown that the low-lying energy spectrum of the simplest cerium chemical bond is determined by peculiarities of…
Despite its apparently simple nature with four valence electrons, the strontium dimer constitutes a challenge for modern electronic structure theory. Here we focus on excited electronic states of Sr$_2$, which we investigate theoretically…
State-of-the-art ab initio techniques have been applied to compute the potential energy curves for the electronic states in the A^1\Sigma_u^+, c^3\Pi_u, and a^3\Sigma_u^+ manifold of the strontium dimer, the spin-orbit and nonadiabatic…
The laser technique of polarisation labelling of levels has been used to study the excited 1$^1\Sigma^{+}_{\mathrm{u}}$ state of $^{88}$Sr$_2$, in most part heavily perturbed by the neighbouring electronic states. By observation of…
The $A^1\Sigma^+_u$ - $X^1\Sigma^+_g$ UV spectrum of Mg$_2$ has been investigated with high resolution employing Fourier-transform spectroscopy and laser excitation. Computer simulation and fit of line positions to the overlapping…
Potential and dipole moment curves for the CrH(X$^6\Sigma^+$) molecule were obtained at the internally-contracted multi-reference configuration interaction with single and double excitations and Davidson correction (ic-MRCISD+Q) level using…
This work concerns \emph{ab initio} calculations of the complete potential energy curve and spectroscopic constants for the ground state $X^1\Sigma_g^+$ of the beryllium dimer, Be$_2$. High accuracy and reliability of the results is one of…
The oscillation continuum in laser-induced fluorescence spectra of bound-free $c^3\Sigma^+ \to a^3\Sigma^+$ and (4)$^1\Sigma^+ \to X^1\Sigma^+$ transitions of the KCs molecule were recorded by Fourier-transform spectrometer and modelled…
The complex electronic structure and unusual potential energy curve of the chromium dimer have fascinated scientists for decades, with agreement between theory and experiment so far elusive. Here, we present a new ab initio simulation of…