Dissociation energies of diatomic molecules from vibrational spacings of higher levels - Application to the halogens
Diatomic molecules vibrational levels distribution near dissociation limit determined using WKB approximation
Bernstein, R. B.↗
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Dissociation energy and long-range potential of diatomic molecules from vibrational spacings of higher levels
Dissociation energy and long range interatomic potential of diatomic molecules from vibrational spacings of higher levels
Bernstein, R. B.↗
Three-dimensional collision induced vibrational transitions in homogeneous diatomic molecules
Three dimensional collision-induced vibrational transitions in homogeneous diatomic molecules
Hansen, C. F.↗
Dissociation energy and long range potential of diatomic molecules from vibrational spacings of higher levels
Dissociation energy and long range potential of diatomic gas molecules from vibrational spacings of higher levels
Bernstein, R. B.↗
Dissociation energies and long range potentials of diatomic molecules from vibrational spacings - The halogens
Dissociation energies and long range potentials of diatomic halogen molecules from vibrational spacings
Bernstein, R. B.↗
Dissociation energies of diatomic molecules from vibrational spacings of higher levels - Application to the halogens
Ground state dissociation energies for diatomic halogens from vibrational spacings near dissociation limit
Bernstein, R. B.↗
Three-dimensional model of collision-induced vibrational transitions in homonuclear diatomic molecules
Collision induced homonuclear diatomic molecules vibrational excitation using three dimensional model, obtaining transition cross sections and relaxation rates as function of temperature
Hansen, C. F.↗
Semiclassical theory of vibrational excitation for diatomic molecules with conserved collision energy
Inelastic collision effects on vibrational excitation of diatomic molecules with conserved energy
Hansen, C. F.↗
Dissociation energies and long-range potentials of diatomic molecules from vibrational spacings - The halogens
Ground state dissociation energies and long range internuclear potentials of diatomic molecules of halogens from spectroscopic vibrational spacings
Bernstein, R. B.↗
Theory of pressure-induced vibrational and rotational absorption of diatomic molecules at high temperatures
Integrated absorption coefficient of pressure induced pure rotational and vibrational transitions in binary collisions of homonuclear diatomic molecules at high temperatures
Patch, R. W.↗
Diatomic infrared gasdynamic laser permits selection of wavelengths
Laser utilizes infrared-active diatomic gas which emits laser energy from numerous upper vibrational levels. Wavelengths depend on particular vibration-rotation transitions and have been obtained throughout the band between 4.78 and 5.4 microns, for example, when using carbon monoxide.
Mckenzie, R. L.↗
Diatomic gasdynamic lasers
Predictions from a numerical model of the vibrational relaxation of anharmonic diatomic oscillators in supersonic expansions are used to show the extent to which the small anharmonicity of gases like CO can cause significant overpopulations of upper vibrational states. When mixtures of CO and N2 are considered, radiative gain on many of the vibration-rotation transitions of CO is predicted. Experiments are described that qualitatively verify the predictions by demonstrating laser oscillation in CO-N2 expansions. The resulting CO-N2 gasdynamic laser displays performance characteristics that equal or exceed those of similar CO2 lasers.
Mckenzie, R. L.↗
Multiphoton excitations in vibrational rotational states of diatomic molecules in intense electromagnetic field
A theory is presented and a calculational procedure is outlined for evaluating transition amplitudes of multiphoton excitations of vibrational-rotational levels in diatomic molecules. This theory can be utilized in studying behavior of molecules in intense electromagnetic fields.
Faisal, F. H. M.↗
Dissociation rate of bromine diatomics in an argon heat bath
The evolution of a collection of 300 K bromine diatomics embedded in a heat bath of argon atoms at 1800 K was studied by computer, and a dissociation-rate constant for the reaction Br2 + BR + Ar yields Br + Ar was determined. Previously published probability distributions for energy and angular momentum transfers in classical three-dimensional Br2-Ar collisions were used in conjunction with a newly developed Monte Carlo scheme for this purpose. Results are compared with experimental shock-tube data and the predictions of several other theoretical models. A departure from equilibrium is obtained which is significantly greater than that predicted by any of these other theories.
Razner, R.↗
Classical scattering calculations for diatomic molecules: A general procedure and application to the microwave spectrum O2
Many properties of gaseous systems such as electromagnetic absorption and emission, sound dispersion and absorption, may be elucidated if the nature of collisions between the particles in the system is understood. A procedure for the calculation of the classical trajectories of two interacting diatomic molecules is described. The dynamics of the collision will be assumed to be that of two rigid rotors moving in a specified potential. The actual outcome of a representative sample of many trajectories at 298K was computed, and the use of these values at any temperature for calculations of various molecular properties will be described. Calculations performed for the O2 microwave spectrum are given to demonstrate the use of the procedure described.
Mingelgrin, U.↗
Diatomic predissociation line widths
Predissociation by rotation and curve crossing in diatomic molecules is discussed. The pattern of predissociation line widths is seen as providing a highly sensitive yardstick for the determination of unknown potential curves. In addition, the computation of such a pattern for given potential curves is considered a matter of routine, unless the predissociation happens to occur from an adiabatic potential curve. Analytic formulas are used to provide physical insight into the details of the predissociation pattern, to the extent that a direct inversion procedure is developed for determination of the repulsive potential curves for Type 1 predissociations.
Child, M. S.↗
Computer program for determining rotational line intensity factors for diatomic molecules
A FORTRAN IV computer program, that provides a new research tool for determining reliable rotational line intensity factors (also known as Honl-London factors), for most electric and magnetic dipole allowed diatomic transitions, is described in detail. This users manual includes instructions for preparing the input data, a program listing, detailed flow charts, and three sample cases. The program is applicable to spin-allowed dipole transitions with either or both states intermediate between Hund's case (a) and Hund's case (b) coupling and to spin-forbidden dipole transitions with either or both states intermediate between Hund's case (c) and Hund's case (b) coupling.
Whiting, E. E.↗
Electric dipole moment of diatomic molecules by configuration interaction. V - Two states of /2/Sigma/+/ symmetry in CN.
Previous accurate dipole moment calculation techniques are modified to be applicable to higher excited states of symmetry. The self-consistent fields and configuration interactions are calculated for the X(2)Sigma(+) and B(2)Sigma(+) states of CN. Spin hyperfine constants and spin density at the nucleus are considered in the context of one-electron operator properties. The values of the self-consistent field and configuration interaction for the spin density are compared with experimental values for several diatomic molecules.
Green, S.↗