Effective Hamiltonians in Molecular Collisions

Rabitz, Herschel

doi:10.1007/978-1-4615-8867-2_2

Cited by 12 publications

(6 citation statements)

References 62 publications

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“…The vibrational levels Ei of CO may be written approximately as The basic theory on vibrational rates was developed in a sequence of two papers by Schwartz,et al6,7 commonly referred to as the SSH theory.…”

Section: The Ssh Theory and The Br Estimation Proceduresmentioning

confidence: 99%

Collision Studies of Gaseous Molecular Lasers

Rabitz¹

1976

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Section: The Ssh Theory and The Br Estimation Proceduresmentioning

confidence: 99%

Collision Studies of Gaseous Molecular Lasers

Rabitz¹

1976

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“…The solution wave function for equation (11-47) which must satisfy the scattering boundary conditions is written (Rabitz, 1976):…”

Section: [Q (U S ) ]mentioning

confidence: 99%

“…An excellent review of the various approximations which have been used in the collision dynamics of the diatom-diatom case was presented by Rabitz (1976). He also formulated an approximation called the 'Effective Potential' (EP) method which capitalized on the fact that under most experimental conditions, the projection states are not directly measured and the energy transferred during a collision is independent of the projection state (1976) .…”

Section: Jmamentioning

confidence: 99%

“…Note, the total number of differential equations in the CC set remains the same; however, this approximation partitions the complete set into smaller sets which can be handled more easily. For the same conditions as used previous, six available rotation states for each diatom, the number of coupled equations to be solved simultaneously is (Rabitz, 1976):…”

Section: Jmamentioning

confidence: 99%

“…The general solution of this equation has been discussed elsewhere (Rabitz, 1976). The orientation dependent wavefunction is denoted:…”

Section: Collision Dynamicsmentioning

confidence: 99%

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Equilibrium and transport properties of polyatomic gases

Toghiani-Doulatabadi

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The spherical shell intermolecular potential function was used to represent the properties of pure components and mixtures of gases. Parameters for this function were evaluated using second virial coefficient data and viscosity data. The representation of third virial coefficient data when the additive third virial coefficient computed with the spherical shell function was analyzed. Improved numerical integration methods were presented for both the reduced second and additive third virial coefficients. These methods were designed to integrate functions defined over a semi-open interval that change sign of slope over a small change in integration variable. These methods do not require integral truncation and provide an analytic estimate of the integration error. The Infinite Order Sudden approximation was used to describe the collision dynamics of two diatomic molecules and includes the identical particle symmetry. Expressions were developed for the quantum mechanical cross sections necessary to compute gas transport coefficients for a binary mixture and a pure gas.

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