Converged close coupling calculations for V-V energy transfer: 2HF(v=1)→HF(v=2)+HF(v=0)

David W. Schwenke; Donald G. Truhlar

doi:10.1007/BF00527689

Converged close coupling calculations for V-V energy transfer: 2HF(v=1)→HF(v=2)+HF(v=0)

David W. Schwenke, Donald G. Truhlar

Chemistry (Twin Cities)

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

17 Scopus citations

Abstract

We report accurate dynamical calculations for V-V energy transfer in the collision of two HF(v=1) molecules for a realistic potential energy surface.

Original language	English (US)
Pages (from-to)	175-178
Number of pages	4
Journal	Theoretica Chimica Acta
Volume	69
Issue number	2
DOIs	https://doi.org/10.1007/BF00527689
State	Published - Mar 1986

Keywords

Close Coupling
Pipeline vector computer
Scattering
Vibration-to-vibration collisional energy transfer

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10.1007/BF00527689

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title = "Converged close coupling calculations for V-V energy transfer: 2HF(v=1)→HF(v=2)+HF(v=0)",

abstract = "We report accurate dynamical calculations for V-V energy transfer in the collision of two HF(v=1) molecules for a realistic potential energy surface.",

keywords = "Close Coupling, Pipeline vector computer, Scattering, Vibration-to-vibration collisional energy transfer",

author = "Schwenke, {David W.} and Truhlar, {Donald G.}",

year = "1986",

month = mar,

doi = "10.1007/BF00527689",

language = "English (US)",

volume = "69",

pages = "175--178",

journal = "Theoretica Chimica Acta",

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TY - JOUR

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T2 - 2HF(v=1)→HF(v=2)+HF(v=0)

AU - Schwenke, David W.

AU - Truhlar, Donald G.

PY - 1986/3

Y1 - 1986/3

N2 - We report accurate dynamical calculations for V-V energy transfer in the collision of two HF(v=1) molecules for a realistic potential energy surface.

AB - We report accurate dynamical calculations for V-V energy transfer in the collision of two HF(v=1) molecules for a realistic potential energy surface.

KW - Close Coupling

KW - Pipeline vector computer

KW - Scattering

KW - Vibration-to-vibration collisional energy transfer

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DO - 10.1007/BF00527689

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EP - 178

JO - Theoretica Chimica Acta

JF - Theoretica Chimica Acta

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ER -

Converged close coupling calculations for V-V energy transfer: 2HF(v=1)→HF(v=2)+HF(v=0)

Abstract

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