Related papers: Tuning bimolecular chemical reactions by electric …
We present a theory for rigorous quantum scattering calculations of probabilities for chemical reactions of atoms with diatomic molecules in the presence of an external electric field. The approach is based on the fully uncoupled basis set…
We present an efficient method for rigorous quantum calculations of cross sections for atom-molecule reactive scattering in the presence of a dc electric field. The wavefunction of the reaction complex is expanded in an overcomplete set of…
Quantum mechanical calculations are reported for the Li+HF(v=0,1,j=0)-->H+LiF(v',j') bimolecular scattering process at low and ultralow temperatures. Calculations have been performed for zero total angular momentum using a recent high…
The H+LiF(X 1Sigma+,v=0-2,j=0)-->HF(X 1Sigma+,v',j')+Li(2S) bimolecular process is investigated by means of quantum scattering calculations on the chemically accurate X 2A' LiHF potential energy surface of Aguado et al. [J. Chem. Phys. 119,…
We examine theoretically a new idea for spatial and temporal control of chemical reactions. When chemical reactions take place in a mixture of solvents, an external electric field can alter the local mixture composition thereby accelerating…
It is shown that the atom-molecule collision problem in the presence of an external electric field can be solved using the total angular momentum representation in the body-fixed coordinated frame, leading to a computationally efficient…
While attaining external field control of bimolecular chemical reactions has long been a coveted goal of physics and chemistry, the role of hyperfine interactions and dc magnetic fields in achieving such control has remained elusive. We…
Controlling interactions between cold molecules using external fields can elucidate the role of quantum mechanics in molecular collisions. We create a new experimental platform in which ultracold rubidium atoms and cold ammonia molecules…
An ion and a polar molecule interact by an anisotropic ion-dipole potential scaling as $- \alpha \cos (\theta)/r^2$ at large distances. Due to its long-range character, it modifies the properties of angular wave functions, which are no…
The effects of electromagnetic fields (EMF) have been widely debated concerning their role in chemical reactions. Reactions usually took hours or days to complete, and have been shown to happen a thousand times faster using EMF radiations.…
Scattering problems are the classical tools for modeling of light-matter interaction. In this paper, we investigate the solution of the dipole scattering problem under different incident radiation.s In particular, we compare the two cases…
We develop an analytic model of thermal state-to-state rotationally inelastic collisions of asymmetric-top molecules with closed-shell atoms in electric fields, and apply it to the Ar--H$_2$O collision system. The predicted cross sections…
Full control of molecular interactions, including reactive losses, would open new frontiers in quantum science. Here, we demonstrate extreme tunability of chemical reaction rates by using an external electric field to shift excited…
We use numerically exact quantum dynamics calculations to demonstrate universal stereoselectivity of cold collisions of $^2\Pi$ molecules with $^1$S-state atoms in an external electric field. We show that cold collisions of OH molecules in…
Rigorous quantum scattering calculations on ultracold molecular collisions in external fields present an outstanding computational problem due to strongly anisotropic atom-molecule interactions that depend on the relative orientation of the…
Reactive angular distributions of the benchmark F + H2(vi = 0) -> F H(vf = 3) + H reaction show unusual propensity towards small scattering angles, a subject of a long debate in the literature. We use Regge trajectories to quantify the…
We report the results of quantum scattering calculations for the O($^3$P)+H$_2$ reaction for a range of collision energies from 0.4 to 4.4 eV, important for astrophysical and atmospheric processes. The total and state-to-state reactive…
In this study, we achieved magnetic control of reactive scattering in an ultracold mixture of $^{23}$Na atoms and $^{23}$Na$^{6}$Li molecules. In most molecular collisions, particles react or are lost near short range with unity…
We consider a general problem of inelastic collision of particles interacting with power-law potentials. Using quantum defect theory we derive an analytical formula for the energy-dependent complex scattering length, valid for arbitrary…
In the laser --- electron beam head-on interaction electron energy can decrease due to radiation reaction, i.e. emission of photons. For 10--100~fs laser pulses and for the laser field strength up to the pair photoproduction threshold, it…