H - O collisions at low T (trac #383)

reported by: @CloudyLex

Title:  
Rate Constants for Fine-structure Excitations in O–H Collisions with Error Bars 
Obtained by Machine Learning
Authors:    
Vieira, Daniel; Krems, Roman V.
Affiliation:    
AA(Department of Chemistry, University of British Columbia, Vancouver, BC V6T 
1Z1, Canada), AB(Department of Chemistry, University of British Columbia, 
Vancouver, BC V6T 1Z1, Canada)

Publication:    
The Astrophysical Journal, Volume 835, Issue 2, article id. 255, 7 pp. (2017). (ApJ 
Homepage)

Publication Date:   
02/2017

Origin: 
IOP

Astronomy Keywords: 
ISM: atoms
DOI:    
10.3847/1538-4357/835/2/255
Bibliographic Code: 
2017ApJ...835..255V
Abstract

We present an approach using a combination of coupled channel scattering 
calculations with a machine-learning technique based on Gaussian Process 
regression to determine the sensitivity of the rate constants for non-adiabatic 
transitions in inelastic atomic collisions to variations of the underlying adiabatic 
interaction potentials. Using this approach, we improve the previous 
computations of the rate constants for the fine-structure transitions in collisions 
of O({}3{P}j) with atomic H. We compute the error bars of the rate constants 
corresponding to 20% variations of the ab initio potentials and show that this 
method can be used to determine which of the individual adiabatic potentials are 
more or less important for the outcome of different fine-structure changing 
collisions.

Migrated from https://www.nublado.org/ticket/383

{
    "status": "new",
    "changetime": "2019-02-04T13:02:49Z",
    "_ts": "1549285369825011",
    "description": "{{{\nTitle:\t\nRate Constants for Fine-structure Excitations in O\u2013H Collisions with Error Bars \nObtained by Machine Learning\nAuthors:\t\nVieira, Daniel; Krems, Roman V.\nAffiliation:\t\nAA(Department of Chemistry, University of British Columbia, Vancouver, BC V6T \n1Z1, Canada), AB(Department of Chemistry, University of British Columbia, \nVancouver, BC V6T 1Z1, Canada)\n\nPublication:\t\nThe Astrophysical Journal, Volume 835, Issue 2, article id. 255, 7 pp. (2017). (ApJ \nHomepage)\n\nPublication Date:\t\n02/2017\n\nOrigin:\t\nIOP\n\nAstronomy Keywords:\t\nISM: atoms\nDOI:\t\n10.3847/1538-4357/835/2/255\nBibliographic Code:\t\n2017ApJ...835..255V\nAbstract\n\nWe present an approach using a combination of coupled channel scattering \ncalculations with a machine-learning technique based on Gaussian Process \nregression to determine the sensitivity of the rate constants for non-adiabatic \ntransitions in inelastic atomic collisions to variations of the underlying adiabatic \ninteraction potentials. Using this approach, we improve the previous \ncomputations of the rate constants for the fine-structure transitions in collisions \nof O({}3{P}j) with atomic H. We compute the error bars of the rate constants \ncorresponding to 20% variations of the ab initio potentials and show that this \nmethod can be used to determine which of the individual adiabatic potentials are \nmore or less important for the outcome of different fine-structure changing \ncollisions.\n}}}",
    "reporter": "gary",
    "cc": "",
    "resolution": "",
    "time": "2017-02-28T20:32:09Z",
    "component": "atomic/molecular data base",
    "summary": "H - O collisions at low T",
    "priority": "good to do",
    "keywords": "",
    "version": "trunk",
    "milestone": "no milestone",
    "owner": "nobody",
    "type": "enhancement"
}

cloudy-astrophysics / bug-tracker-migration-test

H - O collisions at low T (trac #383) #385