Multiple surface long-range interaction potentials between C (3Pj) and closed-shell molecules

Ryan P.A. Bettens; Michael A. Collins

doi:10.1063/1.1424314

Multiple surface long-range interaction potentials between C (³P_j) and closed-shell molecules

Ryan P.A. Bettens^*, Michael A. Collins

^*Corresponding author for this work

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

2 Citations (Scopus)

Abstract

A method for calculating multiple long-range interaction potentials between C (³P) and a closed-shell neutral molecule was developed and used for the determination of capture rate coefficients for collisions of C (³P_j) and Ge(¹S₀ with unsaturated hydrocarbons. Nine adiabatic interaction potentials were determined simultaneously at fixed orientations between the carbon atom and the molecule by diagonalizing a Hamiltonian that considers all nine C (³P) closed-shell molecule states.

Original language	English
Pages (from-to)	101-104
Number of pages	4
Journal	Journal of Chemical Physics
Volume	116
Issue number	1
DOIs	https://doi.org/10.1063/1.1424314
Publication status	Published - 1 Jan 2002

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title = "Multiple surface long-range interaction potentials between C (3Pj) and closed-shell molecules",

abstract = "A method for calculating multiple long-range interaction potentials between C (3P) and a closed-shell neutral molecule was developed and used for the determination of capture rate coefficients for collisions of C (3Pj) and Ge(1S0 with unsaturated hydrocarbons. Nine adiabatic interaction potentials were determined simultaneously at fixed orientations between the carbon atom and the molecule by diagonalizing a Hamiltonian that considers all nine C (3P) closed-shell molecule states.",

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year = "2002",

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AU - Collins, Michael A.

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N2 - A method for calculating multiple long-range interaction potentials between C (3P) and a closed-shell neutral molecule was developed and used for the determination of capture rate coefficients for collisions of C (3Pj) and Ge(1S0 with unsaturated hydrocarbons. Nine adiabatic interaction potentials were determined simultaneously at fixed orientations between the carbon atom and the molecule by diagonalizing a Hamiltonian that considers all nine C (3P) closed-shell molecule states.

AB - A method for calculating multiple long-range interaction potentials between C (3P) and a closed-shell neutral molecule was developed and used for the determination of capture rate coefficients for collisions of C (3Pj) and Ge(1S0 with unsaturated hydrocarbons. Nine adiabatic interaction potentials were determined simultaneously at fixed orientations between the carbon atom and the molecule by diagonalizing a Hamiltonian that considers all nine C (3P) closed-shell molecule states.

UR - https://www.scopus.com/pages/publications/0036143737

U2 - 10.1063/1.1424314

DO - 10.1063/1.1424314

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VL - 116

SP - 101

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JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 1

ER -

Multiple surface long-range interaction potentials between C (³P_j) and closed-shell molecules

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