UK Molecular R-matrix Codes: Difference between revisions
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The R-matrix method of modelling low energy scattering by positrons and electrons by atomic and or molecular targets is used commonly by researchers. The CCPQ and CCP2 have supported various incarnations of the UK Molecular R-matrix project for almost 40 years. The UK Molecular R-Matrix Group is actually a subgroup of CCP2, and their codes are maintained by Professor Jonathan Tennyson and his group of researchers. Advances in research have shown that the UK Molecular R-matrix codes can be used to explain scattering problems involving light molecular targets. |
The R-matrix method of modelling low energy scattering by positrons and electrons by atomic and or molecular targets is used commonly by researchers. The CCPQ and CCP2 have supported various incarnations of the UK Molecular R-matrix project for almost 40 years. The UK Molecular R-Matrix Group is actually a subgroup of CCP2, and their codes are maintained by Professor Jonathan Tennyson and his group of researchers. Advances in research have shown that the UK Molecular R-matrix codes can be used to explain scattering problems involving light molecular targets. |
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== How does it work == |
== How does it work == |
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The code works by fixed nuclei approximation, where the molecule's nuclei are fixed when collision occurs and the electronic part of the problem is solved. This information is then plugged into calculations which take into account nuclear motion. Essentially, the R-matrix method separates the configuration space into two- the inner and outer regions. The inner region contains the electronic density and the relationship between all electrons in the inner region but be considered. |
The code works by fixed nuclei approximation, where the molecule's nuclei are fixed when collision occurs and the electronic part of the problem is solved. This information is then plugged into calculations which take into account nuclear motion. Essentially, the R-matrix method separates the configuration space into two- the inner and outer regions. The inner region contains the electronic density and the relationship between all electrons in the inner region but be considered. |
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{{uncategorized|date=May 2017}} |
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Revision as of 08:55, 9 May 2017
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The R-matrix method of modelling low energy scattering by positrons and electrons by atomic and or molecular targets is used commonly by researchers. The CCPQ and CCP2 have supported various incarnations of the UK Molecular R-matrix project for almost 40 years. The UK Molecular R-Matrix Group is actually a subgroup of CCP2, and their codes are maintained by Professor Jonathan Tennyson and his group of researchers. Advances in research have shown that the UK Molecular R-matrix codes can be used to explain scattering problems involving light molecular targets.
How does it work
The code works by fixed nuclei approximation, where the molecule's nuclei are fixed when collision occurs and the electronic part of the problem is solved. This information is then plugged into calculations which take into account nuclear motion. Essentially, the R-matrix method separates the configuration space into two- the inner and outer regions. The inner region contains the electronic density and the relationship between all electrons in the inner region but be considered.
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