Quantum optimal control of the isotope-selective rovibrational excitation of diatomic molecules
Sign Up to like & getrecommendations! Published in 2017 at "Chemical Physics"
DOI: 10.1016/j.chemphys.2017.07.003
Abstract: Abstract We carry out optimal control theory calculations for isotope-selective pure rotational and vibrational-rotational excitations of diatomic molecules. The fifty-fifty mixture of diatomic isotopologues, 7 Li 37 Cl and 7 Li 35 Cl, is considered… read more here.
Keywords: rotational excitation; pure rotational; isotope selective; diatomic molecules ... See more keywords
Phase properties of elastic waves in systems constituted of adsorbed diatomic molecules on the (001) surface of a simple cubic crystal
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Applied Physics"
DOI: 10.1063/1.5007049
Abstract: A Green's function-based numerical method is developed to calculate the phase of scattered elastic waves in a harmonic model of diatomic molecules adsorbed on the (001) surface of a simple cubic crystal. The phase properties… read more here.
Keywords: phase; elastic waves; 001 surface; surface ... See more keywords
Low-lying electronic terms of diatomic molecules AB (A = Sc–Ni, B = Cu/Ag/Au)
Sign Up to like & getrecommendations! Published in 2020 at "Molecular Physics"
DOI: 10.1080/00268976.2020.1772514
Abstract: Low-lying electronic terms of 24 heteronuclear diatomic molecules AB (A = Sc–Ni, B = Cu/Ag/Au) have been systematically studied. Scalar relativistic effects were included by use of the spin-free Douglas–Kroll–Hess (DKH) Hamiltonian. The complete active space self-consistent field (CASSCF)… read more here.
Keywords: lying electronic; low lying; terms diatomic; diatomic molecules ... See more keywords
Thermodynamic properties for some diatomic molecules with the q-deformed hyperbolic barrier potential
Sign Up to like & getrecommendations! Published in 2023 at "Molecular Physics"
DOI: 10.1080/00268976.2023.2198045
Abstract: In this paper, we obtain analytical vibrational partition function with recent energy spectrum of the deformed hyperbolic barrier potential. We derive different thermodynamic properties for the , , , , and diatomic molecules. In addition,… read more here.
Keywords: hyperbolic barrier; deformed hyperbolic; diatomic molecules; barrier potential ... See more keywords
Comparison study of bound states for diatomic molecules using Kratzer, Morse, and modified Morse potentials
Sign Up to like & getrecommendations! Published in 2022 at "Physica Scripta"
DOI: 10.1088/1402-4896/ac514c
Abstract: In this paper, the bound-state energy eigenvalues for several diatomic molecules (O2, I2, N2, H2, CO, NO, LiH, HCl) are computed for various quantum numbers using the shifted 1/N expansion method with the Kratzer, Morse… read more here.
Keywords: kratzer morse; diatomic molecules; morse potentials; modified morse ... See more keywords
Exploration of electron vortices in the photoionization of diatomic molecules in intense laser fields
Sign Up to like & getrecommendations! Published in 2021 at "Laser Physics"
DOI: 10.1088/1555-6611/abfb73
Abstract: Based on the approach within the single-electron approximation (SEA) frame, we numerically solve the two-dimensional (2D) time-dependent Schr o¨ dinger equation of N2 molecules under co-rotating and counter-rotating circularly polarized attosecond pulses. The vortex structure… read more here.
Keywords: electron vortices; diatomic molecules; laser fields; exploration electron ... See more keywords
Hyperfine structure of alkali-metal diatomic molecules.
Sign Up to like & getrecommendations! Published in 2017 at "Physical Review A"
DOI: 10.1103/physreva.96.042506
Abstract: We present calculations of the hyperfine coupling constants for all the heteronuclear alkali-metal diatomic molecules at the equilibrium geometry of the electronic ground state. These constants are important in developing methods to control ultracold polar… read more here.
Keywords: alkali metal; metal diatomic; hyperfine structure; diatomic molecules ... See more keywords
Tomographic Extraction of the Internuclear Separation Based on Two-Center Interference with Aligned Diatomic Molecules.
Sign Up to like & getrecommendations! Published in 2019 at "Physical review letters"
DOI: 10.1103/physrevlett.122.193202
Abstract: We experimentally investigate the two-dimensional photoelectron momentum spectra of aligned diatomic molecules in an intense laser field. Our results reveal a novel prominent valley structure in the molecular alignment dependence of the high-energy photoelectron spectra… read more here.
Keywords: aligned diatomic; two center; based two; center interference ... See more keywords