A new approach to non-adiabatic transitions in collision theory

B. R. Johnson; R. D. Levine

doi:10.1016/0009-2614(72)80069-1

A new approach to non-adiabatic transitions in collision theory

B. R. Johnson^*
, R. D. Levine

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

25 Scopus citations

Abstract

A practical method for solving the close-coupling problem for electronically non-adiabatic transitions is presented. The present approach combines the separate advantages of adiabatic and diabatic sets by introducing a "crude adiabatic" basis set over limited intervals. The method requires as input the adiabatic potentials and a set of readily computed electronic overlap-type integrals at a discrete number of points.

Original language	English
Pages (from-to)	168-171
Number of pages	4
Journal	Chemical Physics Letters
Volume	13
Issue number	2
DOIs	https://doi.org/10.1016/0009-2614(72)80069-1
State	Published - 15 Feb 1972
Externally published	Yes

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10.1016/0009-2614(72)80069-1

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title = "A new approach to non-adiabatic transitions in collision theory",

abstract = "A practical method for solving the close-coupling problem for electronically non-adiabatic transitions is presented. The present approach combines the separate advantages of adiabatic and diabatic sets by introducing a {"}crude adiabatic{"} basis set over limited intervals. The method requires as input the adiabatic potentials and a set of readily computed electronic overlap-type integrals at a discrete number of points.",

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AU - Levine, R. D.

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N2 - A practical method for solving the close-coupling problem for electronically non-adiabatic transitions is presented. The present approach combines the separate advantages of adiabatic and diabatic sets by introducing a "crude adiabatic" basis set over limited intervals. The method requires as input the adiabatic potentials and a set of readily computed electronic overlap-type integrals at a discrete number of points.

AB - A practical method for solving the close-coupling problem for electronically non-adiabatic transitions is presented. The present approach combines the separate advantages of adiabatic and diabatic sets by introducing a "crude adiabatic" basis set over limited intervals. The method requires as input the adiabatic potentials and a set of readily computed electronic overlap-type integrals at a discrete number of points.

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JO - Chemical Physics Letters

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A new approach to non-adiabatic transitions in collision theory

Abstract

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