Close coupled equations for inelastic scattering in the quasiclassical approximation. The equations for normalized amplitudes

Shalashilin, Dmitrii V.

doi:10.1016/0009-2614(94)01407-m

Cited by 4 publications

(2 citation statements)

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“…D. V. Shalashilin also used a bipolar decomposition to solve the close-coupling equations (for inelastic scattering applications), albeit only as a semiclassical approximation. 38,39 The remainder of this paper is organized as follows. Sec.…”

Section: Introductionmentioning

confidence: 99%

“…In particular, Alexander and co-workers adopted such a scheme in the exact quantum solution of the close-coupling equations using log-derivative propagation, , although their choice of eq 1 decomposition does not avoid oscillatory field functions and is therefore not so useful for QTMs. Shalashilin also used a bipolar decomposition to solve the close-coupling equations (for inelastic scattering applications), albeit only as a semiclassical approximation. , …”

Section: Introductionmentioning

confidence: 99%

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Reconciling Semiclassical and Bohmian Mechanics: IV. Multisurface Dynamics

Poirier

Parlant

2007

J. Phys. Chem. A

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In previous articles (J. Chem. Phys. 2004, 121, 4501; 2006, 124, 034115; 2006, 124, 034116) a bipolar counter-propagating wave decomposition, Psi = Psi+ + Psi-, was presented for stationary states Psi of the one-dimensional Schrödinger equation, such that the components Psi+/- approach their semiclassical WKB analogs in the large action limit. The corresponding bipolar quantum trajectories are classical-like and well-behaved, even when Psi has many nodes or is wildly oscillatory. In this paper, the method is generalized for multisurface scattering applications and applied to several benchmark problems. A natural connection is established between intersurface transitions and (+ <--> -) transitions.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Reconciling Semiclassical and Bohmian Mechanics: IV. Multisurface Dynamics

Poirier

Parlant

2007

J. Phys. Chem. A

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Dynamical Lie algebraic approach to energy transfer of the scattering system A + BC

Yang

Han

Ding

2000

Int. J. Quantum Chem.

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ABSTRACT:The dynamical Lie algebraic approach developed by Y. Alhassid and R. D. Levine (Phys Rev A 1978, 18, 89) combined with the intermediate picture is applied to the study of translational-vibrational energy transfer in the collinear collision between an atom and an anharmonic oscillator. By solving equations of motion for the group parameters under the first-order approximation of the group parameters, we calculate the vibrational transition probabilities of anharmonic molecule scattering with an atom in the intermediate picture. Numerical test calculations are carried out for the collinear scattering system HBr + He; the results show that the dynamical Lie algebraic approach can be useful for the description of atom-molecule collision phenomena.

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