Effect of anisotropy on the glory structure of molecule–molecule scattering cross sections

Pérez-Ríos, Jesús; Bartolomei, Massimiliano; Campos‐Martínez, José; Hernández, Marta I.

doi:10.1016/j.cplett.2011.12.020

Cited by 7 publications

(9 citation statements)

References 38 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…On the other hand, it is also well-known that the glory structures of the cross sections provide information on the potential well area. 42,43 In addition to this, it has been pointed out recently 44 that anisotropy can also influence the velocity positions of the glory extrema in molecule−molecule scattering. In fact, it can be seen in Figure 5 that the glory extrema shift to higher velocities when one moves from the atom−atom to the atom−diatom approximation.…”

Section: Resultsmentioning

confidence: 90%

Global ab Initio Potential Energy Surface for the O₂(³Σ_g ^–) + N₂(¹Σ_g ⁺) Interaction. Applications to the Collisional, Spectroscopic, and Thermodynamic Properties of the Complex

et al. 2014

Self Cite

View full text Add to dashboard Cite

A detailed characterization of the interaction between the most abundant molecules in air is important for the understanding of a variety of phenomena in atmospherical science. A completely ab initio global potential energy surface (PES) for the O2((3)Σg(–)) + N2((1)Σg(+)) interaction is reported for the first time. It has been obtained with the symmetry-adapted perturbation theory utilizing a density functional description of monomers [SAPT(DFT)] extended to treat the interaction involving high-spin open-shell complexes. The computed interaction energies of the complex are in a good agreement with those obtained by using the spin-restricted coupled cluster methodology with singles, doubles, and noniterative triple excitations [RCCSD(T)]. A spherical harmonics expansion of the interaction potential containing a large number of terms due to the anisotropy of the interaction has been built from the ab initio data. The expansion coefficients, which are functions of the intermolecular distance, are matched in the long-range with the analytical functions based on the recent ab initio calculations of the electric properties of the monomers [M. Bartolomei et al. J. Comput. Chem. 2011, 32, 279]. The PES is tested against the second virial coefficient B(T) data and the integral cross sections measured with rotationally hot effusive beams, leading in both cases to a very good agreement. The lowest lying states of the complex have been computed and relevant spectroscopic features of the interacting complex are reported. A comparison with a previous experimentally derived PES is also provided.

show abstract

Section: Resultsmentioning

confidence: 90%

Global ab Initio Potential Energy Surface for the O₂(³Σ_g ^–) + N₂(¹Σ_g ⁺) Interaction. Applications to the Collisional, Spectroscopic, and Thermodynamic Properties of the Complex

et al. 2014

Self Cite

View full text Add to dashboard Cite

show abstract

“…5 that the glory extrema shift to higher velocities when one moves from the atom-atom to the atom-diatom approximation. Thus, we expect that the full molecule-molecule scattering calculation would shift the glory pattern towards even higher velocities (as found for O 2 -O 2 [44]), eventually bringing theoretical results to a closer agreement with the measurements.…”

Section: B Integral Cross Sectionsmentioning

confidence: 52%

“…On the other hand, it is also well known that the glory structures of the cross sections provide information on the potential well area [42,43]. In addition to this, it has been pointed out recently [44] that anisotropy can also influence the velocity positions of the glory extrema in molecule-molecule scattering. In fact, it can be seen in Fig.…”

Section: B Integral Cross Sectionsmentioning

confidence: 99%

Global potential energy surface for the O2 + N2 interaction. Applications to the collisional, spectroscopic, and thermodynamic properties of the complex

Bartolomei,

Carmona-Novillo,

Hernádez

et al. 2014

Preprint

Self Cite

View full text Add to dashboard Cite

A detailed characterization of the interaction between the most abundant molecules in air is important for the understanding of a variety of phenomena in atmospherical science. A completely ab initio global potential energy surface (PES) for the O2( 3 Σ − g ) + N2( 1 Σ + g ) interaction is reported for the first time. It has been obtained with the symmetry-adapted perturbation theory utilizing a density functional description of monomers [SAPT(DFT)] extended to treat the interaction involving high-spin open-shell complexes. The computed interaction energies of the complex are in a good agreement with those obtained by using the spin-restricted coupled cluster methodology with singles, doubles and noniterative triple excitations [RCCSD(T)]. A spherical harmonics expansion containing a large number of terms due to the anisotropy of the interaction has been built from the ab initio data. The radial coefficients of the expansion are matched in the long range with the analytical functions based on the recent ab initio calculations of the electric properties of the monomers [M. Bartolomei et al., J. Comp. Chem., 32, 279 (2011)]. The PES is tested against the second virial coefficient B(T ) data and the integral cross sections measured with rotationally hot effusive beams, leading in both cases to a very good agreement. The first bound states of the complex have been computed and relevant spectroscopic features of the interacting complex are reported. A comparison with a previous experimentally derived PES is also provided.I.

show abstract

“…In Fig. 12, independently of the collision partners under consideration, the elastic cross section shows a large number of shape resonances on top of an overall oscillatory behavior that are known as Glory undulations [144][145][146][147][148].…”

Section: Elastic Collisionsmentioning

confidence: 99%

Direct detection of nuclear scattering of sub-Gev dark matter using molecular excitations

Essig

Pérez‐Ríos

Ramani

et al. 2019

Phys. Rev. Research

Self Cite

View full text Add to dashboard Cite

We propose a novel direct detection concept to search for dark matter with 100 keV to 100 MeV masses. Such dark matter can scatter off molecules in a gas and transfer an O(1) fraction of its kinetic energy to excite a vibrational and rotational state. The excited ro-vibrational mode relaxes rapidly and produces a spectacular multi-infrared-photon signal, which can be observed with ultrasensitive photodetectors. We discuss in detail a gas target consisting of carbon monoxide molecules, which enable efficient photon emission even at a relatively low temperature and high vapor pressure. The emitted photons have an energy in the range 180 meV to 265 meV. By mixing together carbon monoxide molecules of different isotopes, including those with an odd number of neutrons, we obtain sensitivity to both spin-independent interactions and spin-dependent interactions with the neutron. We also consider hydrogen fluoride, hydrogen bromide, and scandium hydride molecules, which each provide sensitivity to spin-dependent interactions with the proton. The proposed detection concept can be realized with near-term technology and allows for the exploration of orders of magnitude of new dark matter parameter space.

show abstract

Effect of anisotropy on the glory structure of molecule–molecule scattering cross sections

Cited by 7 publications

References 38 publications

Global ab Initio Potential Energy Surface for the O₂(³Σ_g ^–) + N₂(¹Σ_g ⁺) Interaction. Applications to the Collisional, Spectroscopic, and Thermodynamic Properties of the Complex

Global ab Initio Potential Energy Surface for the O₂(³Σ_g ^–) + N₂(¹Σ_g ⁺) Interaction. Applications to the Collisional, Spectroscopic, and Thermodynamic Properties of the Complex

Global potential energy surface for the O2 + N2 interaction. Applications to the collisional, spectroscopic, and thermodynamic properties of the complex

Direct detection of nuclear scattering of sub-Gev dark matter using molecular excitations

Contact Info

Product

Resources

About

Effect of anisotropy on the glory structure of molecule–molecule scattering cross sections

Cited by 7 publications

References 38 publications

Global ab Initio Potential Energy Surface for the O2(3Σg –) + N2(1Σg +) Interaction. Applications to the Collisional, Spectroscopic, and Thermodynamic Properties of the Complex

Global ab Initio Potential Energy Surface for the O2(3Σg –) + N2(1Σg +) Interaction. Applications to the Collisional, Spectroscopic, and Thermodynamic Properties of the Complex

Global potential energy surface for the O2 + N2 interaction. Applications to the collisional, spectroscopic, and thermodynamic properties of the complex

Direct detection of nuclear scattering of sub-Gev dark matter using molecular excitations

Contact Info

Product

Resources

About

Global ab Initio Potential Energy Surface for the O₂(³Σ_g ^–) + N₂(¹Σ_g ⁺) Interaction. Applications to the Collisional, Spectroscopic, and Thermodynamic Properties of the Complex

Global ab Initio Potential Energy Surface for the O₂(³Σ_g ^–) + N₂(¹Σ_g ⁺) Interaction. Applications to the Collisional, Spectroscopic, and Thermodynamic Properties of the Complex