### Abstract

A theoretical description of near‐resonant charge exchange is presented for gas‐surface collisions, based on the eikonal formalism, short wavelength approximation, and diabatic representation. The dynamics of the charge transfer is analyzed for the Na/W system. Accurate model diabatic potential surfaces are used to compute the charge exchange during scattering and desorption. The Pade method is applied to approximate the charge exchange probability. The derivations, developments, and comparisons of approximations of the charge‐exchange probability are discussed. These approximations are useful in experimental surface analysis to estimate the integral value of diabatic coupling between the atomic and ionic states. The frequency of oscillation during the charge‐exchange process is also discussed. Model diabatic potentials in analytic forms for the Na/W system are reported. © 1995 John Wiley & Sons, Inc.

Original language | English |
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Pages (from-to) | 51-69 |

Number of pages | 19 |

Journal | International Journal of Quantum Chemistry |

Volume | 56 |

Issue number | 1 |

DOIs | |

Publication status | Published - 1995 |

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### ASJC Scopus subject areas

- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics
- Physical and Theoretical Chemistry

### Cite this

**Charge‐exchange in the nonadiabatic Na/W gas‐surface reaction using a diabatic representation.** / Kristyan, Sandor; Olson, John A.

Research output: Contribution to journal › Article

*International Journal of Quantum Chemistry*, vol. 56, no. 1, pp. 51-69. https://doi.org/10.1002/qua.560560108

}

TY - JOUR

T1 - Charge‐exchange in the nonadiabatic Na/W gas‐surface reaction using a diabatic representation

AU - Kristyan, Sandor

AU - Olson, John A.

PY - 1995

Y1 - 1995

N2 - A theoretical description of near‐resonant charge exchange is presented for gas‐surface collisions, based on the eikonal formalism, short wavelength approximation, and diabatic representation. The dynamics of the charge transfer is analyzed for the Na/W system. Accurate model diabatic potential surfaces are used to compute the charge exchange during scattering and desorption. The Pade method is applied to approximate the charge exchange probability. The derivations, developments, and comparisons of approximations of the charge‐exchange probability are discussed. These approximations are useful in experimental surface analysis to estimate the integral value of diabatic coupling between the atomic and ionic states. The frequency of oscillation during the charge‐exchange process is also discussed. Model diabatic potentials in analytic forms for the Na/W system are reported. © 1995 John Wiley & Sons, Inc.

AB - A theoretical description of near‐resonant charge exchange is presented for gas‐surface collisions, based on the eikonal formalism, short wavelength approximation, and diabatic representation. The dynamics of the charge transfer is analyzed for the Na/W system. Accurate model diabatic potential surfaces are used to compute the charge exchange during scattering and desorption. The Pade method is applied to approximate the charge exchange probability. The derivations, developments, and comparisons of approximations of the charge‐exchange probability are discussed. These approximations are useful in experimental surface analysis to estimate the integral value of diabatic coupling between the atomic and ionic states. The frequency of oscillation during the charge‐exchange process is also discussed. Model diabatic potentials in analytic forms for the Na/W system are reported. © 1995 John Wiley & Sons, Inc.

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UR - http://www.scopus.com/inward/citedby.url?scp=84981677062&partnerID=8YFLogxK

U2 - 10.1002/qua.560560108

DO - 10.1002/qua.560560108

M3 - Article

AN - SCOPUS:84981677062

VL - 56

SP - 51

EP - 69

JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

SN - 0020-7608

IS - 1

ER -