Subscribe to the gold package and get unlimited access to Shamra Academy
Register a new userMOLSCAT: a program for non-reactive quantum scattering calculations on atomic and molecular collisions
128
0
0.0
(
0
)
Ask ChatGPT about the research
No Arabic abstract
MOLSCAT is a general-purpose program for quantum-mechanical calculations on nonreactive atom-atom, atom-molecule and molecule-molecule collisions. It constructs the coupled-channel equations of atomic and molecular scattering theory, and solves them by propagating the wavefunction or log-derivative matrix outwards from short range to the asymptotic region. It then applies scattering boundary conditions to extract the scattering matrix (S matrix). Built-in coupling cases include atom + rigid linear molecule, atom + vibrating diatom, atom + rigid symmetric top, atom + asymmetric or spherical top, rigid diatom + rigid diatom, rigid diatom + asymmetric top, and diffractive scattering of an atom from a crystal surface. Interaction potentials may be specified either in program input (for simple cases) or with user-supplied routines. For the built-in coupling cases, MOLSCAT can loop over partial wave (or total angular momentum) to calculate elastic and inelastic cross integral sections and spectroscopic line-shape cross sections. Post-processors are available to calculate differential cross sections, transport, relaxation and Senftleben-Beenakker cross sections, and to fit the parameters of scattering resonances. MOLSCAT also provides an interface for plug-in routines to specify coupling cases (Hamiltonians and basis sets) that are not built in; plug-in routines are supplied to handle collisions of a pair of alkali-metal atoms with hyperfine structure in an applied magnetic field. For low-energy scattering, MOLSCAT can calculate scattering lengths and effective ranges and can locate and characterize scattering resonances as a function of an external variable such as the magnetic field.
rate research
Read More
MOLSCAT is a general-purpose package for performing non-reactive quantum scattering calculations for atomic and molecular collisions using coupled-channel methods. Simple atom-molecule and molecule-molecule collision types are coded internally and additional ones may be handled with plug-in routines. Plug-in routines may include external magnetic, electric or photon fields (and combinations of them). Simple interaction potentials are coded internally and more complicated ones may be handled with plug-in routines. BOUND is a general-purpose package for performing calculations of bound-state energies in weakly bound atomic and molecular systems using coupled-channel methods. It solves the same sets of coupled equations as MOLSCAT, and can use the same plug-in routines if desired, but with different boundary conditions. FIELD is a development of BOUND that locates external fields at which a bound state exists with a specified energy. One important use is to locate the positions of magnetically tunable Feshbach resonance positions in ultracold collisions. Versions of these programs before version 2019.0 were released separately. However, there is a significant degree of overlap between their internal structures and usage specifications. This manual therefore describes all three, with careful identification of parts that are specific to one or two of the programs.
Magnetic control of reactive scattering is realized in an ultracold mixture of $^{23}$Na atoms and $^{23}$Na$^{6}$Li molecules via Feshbach resonances. In most molecular systems, particles form lossy collision complexes at short range with unity probability for chemical reaction or inelastic scattering leading to the so-called universal loss rate. In contrast, Na${+}$NaLi is shown to have ${<}4%$ loss probability at short range when spin polarization suppresses loss. By controlling the phase of the wavefunction via a Feshbach resonance, we modify the loss rate by more than a factor of hundred, from far below the universal limit to far above, demonstrated here for the fist time. The results are explained in analogy with an optical Fabry-Perot interferometer by constructive and destructive interference of reflections at short and long range. Our work demonstrates quantum control of chemistry by magnetic fields with the full dynamic range predicted by our models.
We consider a quantum theory of elastic light scattering from a macroscopic atomic sample existing in the Bose-Einstein condensate (BEC) phase. The dynamics of the optical excitation induced by an incident photon is influenced by the presence of incoherent scattering channels. For a sample of sufficient length the excitation transports as a polariton wave and the propagation Greens function obeys the scattering equation which we derive. The polariton dynamics could be tracked in the outgoing channel of the scattered photon as we show via numerical solution of the scattering equation for one-dimensional geometry. The results are analyzed and compared with predictions of the conventional macroscopic Maxwell theory for light scattering from a non-degenerate atomic sample of the same density and size.
We present an analytic model to calculate the atomic scattering length near a Feshbach resonance from data on the molecular binding energy. Our approach considers finite-range square-well potentials and can be applied near broad, narrow, or even overlapping Feshbach resonances. We test our model on Cs$_2$ Feshbach molecules. We measure the binding energy using magnetic-field modulation spectroscopy in a range where one broad and two narrow Feshbach resonances overlap. From the data we accurately determine the Cs atomic scattering length and the positions and widths of two particular resonances.
We propose to implement the Jaynes-Cummings model by coupling a few-micrometer large atomic ensemble to a quantized cavity mode and classical laser fields. A two-photon transition resonantly couples the single-atom ground state |g> to a Rydberg state |e> via a non-resonant intermediate state |i>, but due to the interaction between Rydberg atoms only a single atom can be resonantly excited in the ensemble. This restricts the state space of the ensemble to the collective ground state |G> and the collectively excited state |E> with a single Rydberg excitation distributed evenly on all atoms. The collectively enhanced coupling of all atoms to the cavity field with coherent coupling strengths which are much larger than the decay rates in the system leads to the strong coupling regime of the resulting effective Jaynes-Cummings model. We use numerical simulations to show that the cavity transmission can be used to reveal detailed properties of the Jaynes-Cummings ladder of excited states, and that the atomic nonlinearity gives rise to highly non-trivial photon emission from the cavity. Finally, we suggest that the absence of interactions between remote Rydberg atoms may, due to a combinatorial effect, induce a cavity-assisted excitation blockade whose range is larger than the typical Rydberg dipole-dipole interaction length.
Log in to be able to interact and post comments
comments
Fetching comments
Sign in to be able to follow your search criteria
