Related papers: Unraveling vibronic interactions in molecules func…
In the construction of diabatic vibronic Hamiltonians for quantum dynamics in the excited-state manifold of molecules, the coupling constants are often extracted solely from information on the excited-state energies. Here, a new protocol is…
We formulate the theory for a diatomic molecule in a spatially degenerate electronic state interacting with a non-resonant laser field and investigate its rovibrational structure in the presence of the field. We report on \textit{ab initio}…
Interaction of an electron system with a strong electromagnetic wave leads to rearrangement both the electron and vibrational energy spectra of a dissipative system. For instance, the optically coupled electron levels become split in the…
We summarize a few proposals for mixing F center states through the mediation of an appropriate symmetry-breaking vibrational mode. Electron-mode coupling energies odd-order in the mode coordinates are characteristic of the…
The vibrational branching ratios of SrOH for radiative decay to the ground electronic state, $X^{2}\Sigma^{+}$, from the first two electronically excited states, $A^{2}\Pi$ and $B^{2}\Sigma^{+}$, are determined experimentally at the…
Using the polarisation labelling spectroscopy, we performed the detailed analysis of the level structure of excited electronic states of the $^{39}$KCs molecule in the excitation energy interval between 17500~cm$^{-1}$ and 18600~cm$^{-1}$…
Accounting for Coriolis mixing of experimentally known rotational bands with $K^{\pi}< 3^+$, non-adiabatic effects in energy and electric characteristics of excited states are investigated, within phenomenological model. The energy and wave…
We study the interesting problem of interaction and identification of the hadronic molecules which seem to be deuteron-like structure. In particular, we propose a binding mechanism in which One Boson Exchange Potential plus Yukawa…
We investigate the entanglement between electronic and vibrational degrees of freedom produced by a vibronic coupling in a molecular system described in the Born-Oppenheimer approximation. Entanglement in a pure state of the Hilbert space…
We report an investigation of the low-lying excited states of the YbF molecule--a candidate molecule for experimental measurements of the electron electric dipole moment--with 2-component based multi-reference configuration interaction…
We study the interlayer pairing states in layered systems of two different 2d electronic subsystems, one with relativistic linear and the other with non-relativistic parabolic spectrum. The complex order parameter of the paired state has a…
The Rydberg excitation blockade has been at the heart of an impressive array of recent achievements; however, state-mixing interactions can compromise its efficiency. When ultracold atoms are excited to Rydberg states near F\"orster…
Pump-probe photoionization has been used to map the relaxation processes taking place from highly vibrationally excited levels of the S2 state of azulene, populated directly or via internal conversion from the S4 state. Photoelectron…
The chirped-pulse interaction in the adiabatic coupling regime induces cyclic permutations of the energy states of a three-level system in the $V$-type configuration, which process is known as the three-level chirped rapid adiabatic…
Rydberg excited states of molecules pose a challenge for electronic structure calculations because of their highly diffuse electron distribution. Even large and elaborate atomic basis sets tend to underrepresent the long-range tail, overly…
Atoms and ions confined with electric and optical fields form the basis of many current quantum simulation and computing platforms. When excited to high-lying Rydberg states, long-ranged dipole interactions emerge which strongly couple the…
Strong light-matter interactions are gaining importance in controlling the photoswitching behavior of molecules exhibiting bistability. Here, we used the strategy of electronic strong coupling of both the E and Z-isomers of azopyrrole…
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…
It has been shown that the crystal-field interactions can produce a non- magnetic singlet ground state for the highly-correlated d6 system situated in the quasi-octahedral crystal field (CEF) surrounding provided the spin-orbit interactions…
A study of the intensity-borrowing mechanisms important to optical cycling transitions in laser-coolable polyatomic molecules arising from non-adiabatic coupling, contributions beyond the Franck-Condon approximation, and Fermi resonances is…