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[PDF] Top 20 Electron molecule collisions calculations using the R-matrix method

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Electron molecule collisions calculations using the R-matrix method

Electron molecule collisions calculations using the R-matrix method

... [r] ... See full document

13

Electron-impact excitation of Fe2+ : a comparison of intermediate coupling frame transformation, Breit-Pauli and Dirac R-matrix calculations

Electron-impact excitation of Fe2+ : a comparison of intermediate coupling frame transformation, Breit-Pauli and Dirac R-matrix calculations

... in term-resolved LS-coupling and subsequently trans- formed to level-resolved jK-coupling upon the addition of fine-structure relativistic operators (e.g. spin-orbit). If the relativistic operators are not too large then ... See full document

5

Low energy electron scattering with the purine bases of DNA/RNA using the R matrix method

Low energy electron scattering with the purine bases of DNA/RNA using the R matrix method

... study electron collisions at a level beyond the static exchange and static exchange with polarization ...close-coupling calculations including excited target states represented at a partially ... See full document

9

On the validity of the ICFT R-matrix method : Fe xiv

On the validity of the ICFT R-matrix method : Fe xiv

... in R-matrix calculations that use different CI and/or CC expansions, and resonance ...on using the exact same CC expansion the agree- ment between effective collision strengths is frequently ... See full document

9

R-matrix electron-impact excitation data for the Be-like iso-electronic sequence

R-matrix electron-impact excitation data for the Be-like iso-electronic sequence

... before using the R-matrix method or a DW method, and the data currently used for diagnostic modeling within the CHIANTI database are interpolated ones from Keenan ...double- ... See full document

12

Quantemol Electron Collisions (QEC): an enhanced expert system for performing electron molecule collision calculations using the R-matrix method

Quantemol Electron Collisions (QEC): an enhanced expert system for performing electron molecule collision calculations using the R-matrix method

... Abstract: Collisions of low energy electrons with molecules are important for understanding many aspects of the environment and ...of collisions can give insights into plasma etching processes, edge effects ... See full document

11

Electron impact excitation of neutral boron using the R matrix with pseudostates method

Electron impact excitation of neutral boron using the R matrix with pseudostates method

... RMPS calculations [6, 7, 8] have shown that the omission of the coupling of the target levels to the target continuum can lead to significantly inflated excitation cross sections above the ionisation limit, and ... See full document

14

Importance of the completeness of the configuration interaction and close coupling expansions in R-matrix calculations for highly-charged ions : electron-impact excitation of Fe20+

Importance of the completeness of the configuration interaction and close coupling expansions in R-matrix calculations for highly-charged ions : electron-impact excitation of Fe20+

... the electron-impact excitation of C-like Fe 20+ spanning several ...wave method for all the C-like ions from F 3+ up to Xe 48+ ...Dirac-Fock R-matrix method including in the ... See full document

17

Low Energy Electron Impact Differential Scattering Cross Section Calculations for Polyatomic CHF3 Molecule

Low Energy Electron Impact Differential Scattering Cross Section Calculations for Polyatomic CHF3 Molecule

... Approximation method and hard sphere dipole interaction potential model is employed for present calculations. The hard sphere cut-off parameter “a” is considered as “D/2”, where “D” is dipole moment of ... See full document

5

Calculations Using Quantum Chemistry for Inorganic Molecule Simulation BeLi2SeSi

Calculations Using Quantum Chemistry for Inorganic Molecule Simulation BeLi2SeSi

... seed molecule whose arrangement would be formed by the combination of these, aiming at the future development of a crystal to be used ...study using computer programs with ab initio method was ... See full document

10

Studies of HeH: Dissociative Excitation

Studies of HeH: Dissociative Excitation

... These calculations included structure calculations as well as electron scattering calculations, using the complex Kohn variational method [1, 2] to obtain the autoionization ... See full document

6

R-matrix calculations of vibrationally resolved electron collisions with molecular hydrogen

R-matrix calculations of vibrationally resolved electron collisions with molecular hydrogen

... state calculations have been performed only at the H 2 equilibrium bond ...the R-matrix sphere and require such an increase in its size to contain the functions that many of the efficiencies gained ... See full document

132

SA CASSCF and R matrix calculations of low energy electron collisions with DNA bases and phosphoric acid

SA CASSCF and R matrix calculations of low energy electron collisions with DNA bases and phosphoric acid

... CC calculations used the aug-cc-pVDZ basis ...for R-matrix calculations and was replaced with the cc-pVTZ basis set (see tables and figures in appendix ...Dora using the program POLYDCS ... See full document

168

Electron collisions with the CF2 radical using the R-matrix method

Electron collisions with the CF2 radical using the R-matrix method

... úޤغÚiϞÑÜÐÐÙŒÕºÚŒÚ ÚŒÎÐ2ϞÑÜÕßÒLÚ ×ZÎÙŒÎ ÐØºÞÓÐÛLÞ¤Ø7ϞÎáØÏ áLÑ?>.ÎٌÎÒ?Ï ÔßÎÕßÝÎϞÙ`ÑÓÎÚæ. r ٌÎâ[ÑÜÕßÛLÚ Ý;؍όٌÑ[r] ... See full document

12

Electron collisions with the CF radicals using the R-matrix method

Electron collisions with the CF radicals using the R-matrix method

... [r] ... See full document

16

Electron collisions with OClO using the R-matrix method

Electron collisions with OClO using the R-matrix method

... [r] ... See full document

15

Structural, electronic and optical properties of defect chalcopyrite CdGa2S4 and HgGa2S4 compounds by first principles

Structural, electronic and optical properties of defect chalcopyrite CdGa2S4 and HgGa2S4 compounds by first principles

... Research shows that, PbGa2S4 and HgGa2S4 have been studied almost few years ago and the main emphasis was generally on their structural and electronic properties [1,2]. The structural properties and the electronic ... See full document

9

Simulation of high energy tail of electron distribution function

Simulation of high energy tail of electron distribution function

... modified electron distribution on the EISCAT ...simulated electron distribution in ...modified electron distribution is the most evident feature, but it is about 1000 times weaker than the ion ... See full document

9

ELECTRON HEATING IN HALL FIELDS OF M P D  GENERATORS  EUR 506 e

ELECTRON HEATING IN HALL FIELDS OF M P D GENERATORS EUR 506 e

... Using calculations of the electron energy distribution and the mean energy of the electrons it is found that a strong electron heating is possible only in a monoatomic gas when the ratio[r] ... See full document

8

Electron Collisions with Atoms and Molecules

Electron Collisions with Atoms and Molecules

... total electron angular momentum Ω and the parity of the state ± ...energy. Using the letter X to designate the ground state, one can proceed alphabetically for excited states using the letters A, B, ... See full document

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