R-matrix calculation of electron collisions with electronically excitedO2molecules
نویسندگان
چکیده
منابع مشابه
R-matrix calculations of low-energy electron collisions with methane
R-matrix calculations are performed for electron collision with CH4 at energies between 0.02 and 15 eV using a series of different ab initio models for both the target and the full scattering system. A target model similar to the standard multi-reference configuration interaction used in electronic structure calculations is found to give the best results. Results are presented for elastic scatt...
متن کاملR-matrix calculation of differential cross sections for low-energy electron collisions with ground-state and electronically excited-state O2 molecules
Differential cross sections for electron collisions with the O2 molecule in its ground X 3 g − state, as well as excited a 1 g and b 1 g + states are calculated. As previously, the fixed-bond R-matrix method based on stateaveraged complete active space self-consistent-field orbitals is employed. In addition to elastic scattering of electron with the O2 X 3 g , a 1 g, and b 1 g + states, electro...
متن کاملElectron collisions with CF radicals using the R-matrix method
Radicals CF (x=1-3) are formed in the upper atmosphere by photolysis of fluorocarbons the bulk of which are generated in the plasma industry. Fluorocarbon plasmas are used in plasma etching technology and surface modification of materials. Many of the processes that occur in these plasmas are poorly characterized and understood, providing a significant roadblock for the construction of reliable...
متن کاملR-matrix calculations of differential and integral cross sections for low-energy electron collisions with ethanol
Electron collisions with C2H5OH are studied up to impact energies of 10 eV using several theoretical models. Calculated differential cross sections suggest that the extrapolation to low angles used to extend experimental data and hence give integral cross sections significantly underestimates the large, dipole-driven forward scattering cross section. An improved set of values for the rotational...
متن کاملElectron-collisions with molecules of interstellar and plasma interest via the R-Matrix method
Here the ab-initio R-Matrix method has been used to carry out electron-molecule collision calculations on the the molecules of interstellar interest C3N, C2H & CN, and molecules found in industrial plasma applications SiBr, SiBr2 and NaI. These were carried out using the UK Molecular R-Matrix codes, along with the Quantemol expert system for running these codes. Calculations have also been carr...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Physical Review A
سال: 2006
ISSN: 1050-2947,1094-1622
DOI: 10.1103/physreva.73.052707