9 citations · 30 across the 9 of their papers we have counts for
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A complex Gaussian representation of continuum wavefunctions respectful of their asymptotic behaviour
Stéphanie Laure Egome Nana, Arnaud Leclerc, Lorenzo Ugo Ancarani
Complex Gaussian basis sets are optimized to accurately represent continuum radial wavefunctions over the whole space. First, attention is put on the technical ability of the optim…
On the use of complex GTOs for the evaluation of radial integrals involving oscillating functions
Abdallah Ammar, Arnaud Leclerc, Lorenzo Ugo Ancarani
We study two classes of radial integrals involving a product of bound and continuum one-electron states. Using a representation of the continuum part with an expansion on complex G…
Calculation of electron-impact and photo-ionization cross sections of methane using analytical Gaussian integrals
Abdallah Ammar, Arnaud Leclerc, Lorenzo Ugo Ancarani
The ionization by photon or electron impact of the inner (2a1) and outer (1t2) valence orbitals of the CH4 molecule is investigated theoretically. In spite of a number of approxima…
A complex Gaussian approach to molecular photoionization
Abdallah Ammar, Lorenzo Ugo Ancarani, Arnaud Leclerc
We develop and implement a Gaussian approach to calculate partial cross-sections and asymmetry parameters for molecular photoionization. Optimal sets of complex Gaussian-type orbit…