Partition function of the Morse vibrating- rotator model of a diatomic molecule.
Diatomic molecules vibration-rotation partition function calculation by model with Morse potential
SEARCH · Engineering Papers
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Diatomic molecules vibration-rotation partition function calculation by model with Morse potential
Diatomic molecules rotational excitation calculated from electron molecule elastic scattering parameters in fixed nuclei approximation
Collision induced homonuclear diatomic molecules vibrational excitation using three dimensional model, obtaining transition cross sections and relaxation rates as function of temperature
Wave function expansion of diatomic molecules in series of orbital angular momentum eigenfunctions
Relations among potential energy curves of diatomic molecules - quantum mechanics
Computational procedure for cross sections evaluation for close coupled rotational excitation of diatomic molecules using atom-diatomic molecule scattering theory
Partial wave calculation for diatomic molecule - helium hydrogen ion
Partial wave expansion in spheroidal coordinates for diatomic molecules
Calculations of interactions of diatomic molecules with solid surfaces
Approximate formulas for intensity of electronic transitions in diatomic molecules
We derive a semiclassical S matrix for vibrationally inelastic collisions between two diatomic molecules, assuming a collinear geometry. Our theory incorporates a quantum mechanical superposition principle with classical dynamics and, as such, is an extension of the atom-diatomic molecule theory of Miller. The several approximations to the S matrix differ in the complexity with which the interference between various classical trajectories is treated. We report numerical calculations for H2-D2 and D2-D2 collisions based on two different interaction potentials. The cruder approximations yield transition probabilities which agree with exact quantum mechanical results to within a factor of 2. More sophisticated approximations to the S matrix yield excellent quantitative agreement with the quantum calculations.
Relative partial wave theory used in investigating excited state of diatomic molecules
Morse eigenfunctions for variational calculation of diatomic molecules vibrational-rotational energy level analysis, showing better convergence than harmonic oscillator basis
Numerical simplification and alternative to Rydberg-Klein-Refs method for diatomic molecules
Quantum mechanical study of transition probabilities, Einstein A coefficients, and oscillator strengths of band systems of diatomic molecules
Hellman-Feynman theorem used for internuclear separation derivatives of diatomic molecule energy
Vibrational-rotational motion effect on electric and magnetic properties of diatomic molecules, calculating magnetic susceptibility and rotational magnetic moment
Continued fraction in theory of electron energy for ground state of one-electron diatomic molecule near united atom