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R-matrix calculations of electron-molecule collisions with C2 and C-2

The C2 molecule is very important astrophysically as well as terrestrially. Its spectrum is known from the comets, the interstellar mediums and the atmospheres of cool carbon stars. C2 is present in flames and electric discharges through carbon-containing materials, and could be important at the edge of fusion plasmas. Nevertheless, there seem to be no preceding published studies of electron collisions with neutral C2. On the other hand, there are a number of studies available for C2 ion. The challenge of studying electron collisions with C2 is the unusually large number of low-lying electronic states, which are themselves difficult to represent using standard ab initio methods. Furthermore, the system supports several bound states even though the exact number is not firmly established. This thesis describe the electron collision processes with the dicarbon molecule and its anion at the energies up to 10 eV. Specific attention is given to determine the formation of the bound states of C2 and a low-lying resonance of C as a function of internuclear separation. While the calculations on the system used the standard implementation of the UK i-matrix method, those on C required both the molecular .ft-matrix method with pseudo-states and the partitioned /2-matrix method to be employed. The effectiveness of these procedures for this problem is discussed.
Date January 2008
CreatorsHalmova, Gabriela
PublisherUniversity College London (University of London)
Source SetsEthos UK
Detected LanguageEnglish
TypeElectronic Thesis or Dissertation

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