The UK Molecular R-Matrix Scattering Package: a Computational Perspective

Author(s):  
Charles J. Gillan ◽  
Jonathan Tennyson ◽  
Philip G. Burke
1998 ◽  
Vol 114 (1-3) ◽  
pp. 120-128 ◽  
Author(s):  
Lesley A. Morgan ◽  
Jonathan Tennyson ◽  
Charles J. Gillan
Keyword(s):  
R Matrix ◽  

Atoms ◽  
2021 ◽  
Vol 9 (3) ◽  
pp. 62
Author(s):  
Mehdi Ayouz ◽  
Alexandre Faure ◽  
Jonathan Tennyson ◽  
Maria Tudorovskaya ◽  
Viatcheslav Kokoouline

Cross-sections and thermally averaged rate coefficients for vibration (de-)excitation of a water molecule by electron impact are computed; one and two quanta excitations are considered for all three normal modes. The calculations use a theoretical approach that combines the normal mode approximation for vibrational states of water, a vibrational frame transformation employed to evaluate the scattering matrix for vibrational transitions and the UK molecular R-matrix code. The interval of applicability of the rate coefficients is from 10 to 10,000 K. A comprehensive set of calculations is performed to assess uncertainty of the obtained data. The results should help in modelling non-LTE spectra of water in various astrophysical environments.


Atoms ◽  
2018 ◽  
Vol 6 (3) ◽  
pp. 49 ◽  
Author(s):  
Marjan Khamesian ◽  
Mehdi Ayouz ◽  
Jasmeet Singh ◽  
Viatcheslav Kokoouline

Cross sections for rotational excitation and de-excitation of the HeH+ ion by an electron impact are computed using a theoretical approach that combines the UK R-matrix code and the multi-channel quantum defect theory. The thermally-averaged rate coefficients derived from the obtained cross sections are fitted to an analytical formula valid for a wide range of temperatures.


2000 ◽  
Vol 111 (1) ◽  
pp. 78-90 ◽  
Author(s):  
C. R. M. Hay ◽  
T. P. Baglin ◽  
P. W. Collins ◽  
F. G. H. Hill ◽  
D. M. Keeling

2006 ◽  
Vol 175 (4S) ◽  
pp. 476-477
Author(s):  
Freddie C. Hamdy ◽  
Joanne Howson ◽  
Athene Lane ◽  
Jenny L. Donovan ◽  
David E. Neal

2006 ◽  
Vol 175 (4S) ◽  
pp. 210-210
Author(s):  
◽  
Freddie C. Hamdy ◽  
Athene Lane ◽  
David E. Neal ◽  
Malcolm Mason ◽  
...  
Keyword(s):  

2003 ◽  
Vol 2 (1) ◽  
pp. 131
Author(s):  
A ZAPHIRIOU ◽  
S ROBB ◽  
G MENDEZ ◽  
T MURRAYTHOMAS ◽  
S HARDMAN ◽  
...  

Crisis ◽  
2014 ◽  
Vol 35 (4) ◽  
pp. 268-272
Author(s):  
Sean Cross ◽  
Dinesh Bhugra ◽  
Paul I. Dargan ◽  
David M. Wood ◽  
Shaun L. Greene ◽  
...  

Background: Self-poisoning (overdose) is the commonest form of self-harm cases presenting to acute secondary care services in the UK, where there has been limited investigation of self-harm in black and minority ethnic communities. London has the UK’s most ethnically diverse areas but presents challenges in resident-based data collection due to the large number of hospitals. Aims: To investigate the rates and characteristics of self-poisoning presentations in two central London boroughs. Method: All incident cases of self-poisoning presentations of residents of Lambeth and Southwark were identified over a 12-month period through comprehensive acute and mental health trust data collection systems at multiple hospitals. Analysis was done using STATA 12.1. Results: A rate of 121.4/100,000 was recorded across a population of more than half a million residents. Women exceeded men in all measured ethnic groups. Black women presented 1.5 times more than white women. Gender ratios within ethnicities were marked. Among those aged younger than 24 years, black women were almost 7 times more likely to present than black men were. Conclusion: Self-poisoning is the commonest form of self-harm presentation to UK hospitals but population-based rates are rare. These results have implications for formulating and managing risk in clinical services for both minority ethnic women and men.


2016 ◽  
Vol 37 (2) ◽  
pp. 105-111 ◽  
Author(s):  
Adrian Furnham ◽  
Helen Cheng

Abstract. This study used a longitudinal data set of 5,672 adults followed for 50 years to determine the factors that influence adult trait Openness-to-Experience. In a large, nationally representative sample in the UK (the National Child Development Study), data were collected at birth, in childhood (age 11), adolescence (age 16), and adulthood (ages 33, 42, and 50) to examine the effects of family social background, childhood intelligence, school motivation during adolescence, education, and occupation on the personality trait Openness assessed at age 50 years. Structural equation modeling showed that parental social status, childhood intelligence, school motivation, education, and occupation all had modest, but direct, effects on trait Openness, among which childhood intelligence was the strongest predictor. Gender was not significantly associated with trait Openness. Limitations and implications of the study are discussed.


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