On the theory of the Stark shifts of the rotational–vibrational levels of the hydrogen molecule and its isotopes produced by a point charge. I: H2, D2, and T2

1985 ◽  
Vol 63 (1) ◽  
pp. 84-93 ◽  
Author(s):  
J. D. Poll ◽  
J. L. Hunt
Keyword(s):  
Diatomic Molecule ◽  
Point Charge ◽  
Hydrogen Molecule ◽  
Stark Shift ◽  
Numerical Results ◽  
Centre Of Mass ◽  
Fixed Distance ◽  
Homonuclear Diatomic Molecule ◽  
Vibrational Levels

The Hamiltonian describing the rotation and vibration of a homonuclear diatomic molecule in the field of a point charge at a fixed distance from its centre-of-mass is given. Numerical results for the Stark shift of the molecular levels due to a point charge of either sign are listed for H2, D2, and T2 as a function of the separation of the point charge from the molecule. The intensity associated with transitions between perturbed levels is discussed briefly.

On the theory of the Stark shifts of the rotational–vibrational levels of the hydrogen molecule and its isotopes produced by a point charge. II: HD, HT, and DT

1991 ◽  
Vol 69 (5) ◽  
pp. 606-611 ◽  
Author(s):  
J. J. Miller ◽  
J. D. Poll ◽  
J. L. Hunt
Keyword(s):  
Point Charge ◽  
Hydrogen Molecule ◽  
Stark Shift ◽  
Vibrational Levels

In continuation of paper I of this series on the homonuclear molecules H2, D2, and T2, the Hamiltonian describing the rotation and vibration of a heteronuclear molecule in the field of a point charge is given. Numercial results for the Stark shift of the molecular levels due to a point charge of either sign are listed for HD, HT, and DT as a function of the separation of this charge from the molecule. An application of the calculations to the charge-induced spectrum of HD is presented.

Rotational excitations of diatomic molecule with delta potential barrier

2018 ◽  
Vol 17 (04) ◽  
pp. 1850022
Author(s):  
Sonia Lumb ◽  
Shalini Lumb ◽  
Vinod Prasad
Keyword(s):  
Diatomic Molecule ◽  
Applied Field ◽  
Morse Potential ◽  
Short Range ◽  
Delta Function ◽  
Energy Spectra ◽  
Matrix Elements ◽  
Delta Potential ◽  
Homonuclear Diatomic Molecule ◽  
Delta Functions

The interatomic interactions in a diatomic molecule can be fairly modeled by the Morse potential. Short range interactions of the molecule with the neighboring environment can be analyzed by modifying this potential by delta functions. Energy spectra and radial matrix elements have been calculated using an accurate nine-point finite-difference method for such an interacting homonuclear diatomic molecule. The effect of the strength and position of a single delta function interaction on the alignment of this molecule has been studied. The dependence of alignment on the strength of applied field has also been analyzed.

Relaxation dynamics of helium nanodroplets after photodissociation of a dopant homonuclear diatomic molecule. The case of Cl2@(4He)N

2016 ◽  
Vol 18 (4) ◽  
pp. 2409-2416 ◽  
Author(s):  
Arnau Vilà ◽  
Miguel González ◽  
Ricardo Mayol
Keyword(s):  
Relaxation Process ◽  
Diatomic Molecule ◽  
Relaxation Dynamics ◽  
Helium Nanodroplets ◽  
Homonuclear Diatomic Molecule ◽  
Excited Helium ◽  
First Time

The quantum (TDDFT) dynamics of the relaxation process (Δt ∼ 500 ps) of excited helium nanodroplets was studied for the first time.

On the formation of cavitylike small-polaronic states in solid deuterium

1985 ◽  
Vol 63 (1) ◽  
pp. 94-98 ◽  
Author(s):  
S. K. Bose ◽  
J. D. Poll
Keyword(s):  
Ground State ◽  
Continuum Model ◽  
State Energy ◽  
Stark Shift ◽  
Localized State ◽  
Solid Deuterium ◽  
Vibrational Levels ◽  
Radiation Induced ◽  
Absorption Features ◽  
Ground State Energies

Certain infrared absorption features in tritiated as well as proton-irradiated samples of solid deuterium have been attributed to the formation of bubblelike electronic states localized in the lattice. These bubblelike states are shown to be energetically stable in the Wigner–Seitz model of the crystal and the gap between the ground-state energies in the bubble and the quasi-free states of the electron is calculated. An initial trapping of the electron by a vacancy is assumed in calculating the localized state energy. Calculations based on a continuum model of the solid yield the radius of such bubbles to close agreement with that obtained from the observed Stark shift of the vibrational levels of the neighbouring molecules due to the localized electrons. The model is used to interpret the radiation-induced absorption in proton-irradiated solid deuterium in the spectral region 4000–7500 cm−1.

Hyperfine-InducedUngerade-GeradeSymmetry Breaking in a Homonuclear Diatomic Molecule near a Dissociation Limit:I2127at theP322−P122Limit

1984 ◽  
Vol 52 (4) ◽  
pp. 267-270 ◽  
Author(s):  
J. P. Pique ◽  
F. Hartmann ◽  
R. Bacis ◽  
S. Churassy ◽  
J. B. Koffend
Keyword(s):  
Diatomic Molecule ◽  
Homonuclear Diatomic Molecule

scholarly journals Twisted particles as a new tool to study micro world phenomena and processes

2018 ◽  
Vol 44 ◽  
pp. 00058
Author(s):  
Anna Mayorova
Keyword(s):  
Angular Momentum ◽  
Diatomic Molecule ◽  
Electron Scattering ◽  
Hydrogen Molecule ◽  
Yukawa Potential ◽  
Model Potential ◽  
Propagation Direction ◽  
Molecular Processes ◽  
First Time ◽  
Atomic And Molecular Processes

Twisted or vortex particles are a new powerful tool to study atomic and molecular processes as well as phenomena that occur at the level of nano-objects. The main feature of such particles is that they carry a non-zero projection of orbital angular momentum along the beam propagation direction. The process of twisted electron scattering from diatomic molecule targets has been studied in this paper for the first time. The Yukawa potential is selected as a model potential. Numerical calculations are carried out for the case of scattering from a hydrogen molecule H2.

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