The fragmentation of diatomic molecules under a stochastic force is investigated both classically and quantum mechanically, focussing on their dissociation probabilities. It is found that the quantum system is more robust than the classical one in the limit of a large number of kicks. The opposite behavior emerges for a small number of kicks. Quantum and classical dissociation probabilities do not coincide for any parameter combinations of the force. This can be attributed to a scaling property in the classical system which is broken quantum mechanically.
Relativistic study of the nuclear anapole moment effects in diatomic molecules
利用相对论Hartree-Fock和密度泛函理论，考虑核极化效应，研究了一些双原子分子的核自旋相关宇称破坏效应.重双原子分子是成功测量重元素中占主导地位的NSD宇称破坏项--原子核重极矩的良好候选者。在我们先前的出版物[Borschevsky等人，Phys. Rev. A 85，052509（2012）]，以及一些新的有希望的候选人的核回极测量的计算。
We consider the long-range states expected for complexes formed from an alkali-metal diatomic molecule in a singlet state and an alkali-metal atom. We explore the structure of the Hamiltonian for such systems, and the couplings between the six angular momenta that are present. We consider the patterns and densities of the long-range states, and the terms in the Hamiltonian that can cause Feshbach resonances when the states cross threshold as a function of magnetic field. We present a case study of $^{40}$K$^{87}$Rb+$^{87}$Rb. We show multiple types of resonance due to long-range states with ro…
Laser cooling and trapping are central to modern atomic physics. The workhorse technique in cold-atom physics is the magneto-optical trap (MOT), which combines laser cooling with a restoring force from radiation pressure. For a variety of atomic species, MOTs can capture and cool large numbers of particles to ultracold temperatures (<1 mK); this has enabled the study of a wide range of phenomena from optical clocks to ultracold collisions whilst also serving as the ubiquitous starting point for further cooling into the regime of quantum degeneracy. Magneto-optical trapping of molecules could p…
Following the first principles the elements of the analytic theory of potential curves for diatomic molecules (diatomics) are presented. It is based on matching the perturbation theory at small internuclear distances $R$ and multipole expansion at large distances, modified by instanton-induced trans-series for homonuclear case, with addition of the phenomenologically described equilibrium configuration, if exists. It leads to a new class of (generalized) meromorphic potentials (modified by exponential terms) with difference in degrees of polynomials in numerator and denominator equal to 4 (6) …
We present an implementation of a time-dependent multiconfiguration self-consistent-field (TD-MCSCF) method [R. Anzaki et al., Phys. Chem. Chem. Phys. 19, 22008 (2017)] with the full configuration interaction expansion for coupled electron-nuclear dynamics in diatomic molecules subject to a strong laser field. In this method, the total wave function is expressed as a superposition of different configurations constructed from time-dependent electronic Slater determinants and time-dependent orthonormal nuclear basis functions. The primitive basis functions of nuclei and electrons are strictly in…
We explore the properties of 3-atom complexes of alkali-metal diatomic molecules with alkali-metal atoms, which may be formed in ultracold collisions. We estimate the densities of vibrational states at the energy of atom-diatom collisions, and find values ranging from 2.2 to 350~K$^{-1}$. However, this density does not account for electronic near-degeneracy or electron and nuclear spins. We consider the fine and hyperfine structure expected for such complexes. The Fermi contact interaction between electron and nuclear spins can cause spin exchange between atomic and molecular spins. It can dri…
We report on the fragmentation dynamics of triply charged, diatomic, molecular ions of NO and CO. Dissociative fragmentation after multiple ionization of NO and CO is studied under the impact of 200 keV proton beam using recoil-ion momentum spectrometer. Kinetic Energy Release distributions (KERDs) for various fragmentation channels were obtained. We have also calculated the potential energy curves (PECs) for ground and several excited states of NO^{3+} and CO^{3+} molecular ion. The obtained KERDs are discussed in the background of the calculated PECs as well as the simple Coulomb excitation …
Enhanced Sensitivity to the Time Variation of the Fine-Structure Constant and $m_p/m_e$ in Diatomic Molecules: A Closer Examination of Silicon Monobromide
We present a computer program to calculate the quantised rotational and hyperfine energy levels of $^{1}Σ$ diatomic molecules in the presence of dc electric, dc magnetic, and off-resonant optical fields. Our program is applicable to the bialkali molecules used in ongoing state-of-the-art experiments with ultracold molecular gases. We include functions for the calculation of space-fixed electric dipole moments, magnetic moments and transition dipole moments.
The generation of high harmonics (HHG) in atomic systems by the highly non-linear response to an intense laser field is a prominent pathway to the synthesis of ever shorter laser pulses at increasingly higher photon energies. Extensions of this process to molecules add to the complexity but also offers novel opportunities as multi-center effects and the coupling to nuclear degrees of freedom can influence HHG. In this work we theoretically explore the impact of coherent vibronic excitations of diatomic molecules on the HHG spectrum within the framework of time-dependent density functional theo…
We study ionization dynamics of aligned diatomic molecules N$_2$ in strong elliptical laser fields experimentally and theoretically. The alignment dependence of photoelectron momentum distributions (PMDs) of N$_2$ measured in experiments is highlighted with comparing to Ar measured synchronously. Our results show that the PMDs of N$_2$ depend strongly on the alignment of the molecule, relative to the main axis of the laser ellipse. In particular, the most-probable electron-emission angle which is often used in attosecond measurement, differs remarkably when changing the molecular alignment. We…
Astrophysical molecular spectroscopy is an important means of searching for new physics through probing the variation of the proton-to-electron mass ratio, $μ$. New molecular probes could provide tighter constraints on the variation of $μ$ and better direction for theories of new physics. Here we summarise our previous paper \citep{19SyMoCu.CN} for astronomers, highlighting the importance of accurate estimates of peak molecular abundance and temperature as well as spectral resolution and sensitivity of telescopes in different regions of the electromagnetic spectrum. Whilst none of the 11 astro…
Referring to a recent experiment, we theoretically study the process of a two-channel decay of the diatomic silver anion (Ag$_2^-$), namely the spontaneous electron ejection giving Ag$_2$ + e$^-$ and the dissociation leading to Ag$^-$ + Ag. The ground state potential energy curves of the silver molecules of diatomic neutral and negative ion were calculated using proper pseudo-potentials and atomic basis sets. We also estimated the non-adiabatic electronic coupling between the ground state of Ag$_2^-$ and the ground state of Ag$_2$ + e$^-$, which in turn allowed us to estimate the minimal and m…
