9 citations · 30 across the 9 of their papers we have counts for
9 papers
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…
Multicenter integrals involving complex Gaussian type functions
Abdallah Ammar, Arnaud Leclerc, Lorenzo Ugo Ancarani
Multicentric integrals that involve a continuum state cannot be evaluated with the usual quantum chemistry tools and require a special treatment. We consider an initial molecular b…
The momentum distribution of two bosons in one dimension with infinite contact repulsion in harmonic trap gets analytical
K. Bencheikh, L. M. Nieto, L. U. Ancarani
For a harmonically trapped system consisting of two bosons in one spatial dimension with infinite contact repulsion (hard core bosons), we derive an expression for the one-body den…
Fitting continuum wavefunctions with complex Gaussians: Computation of ionization cross sections
Abdallah Ammar, Arnaud Leclerc, Lorenzo Ugo Ancarani
We implement a full nonlinear optimization method to fit continuum states with complex Gaussians. The application to a set of regular scattering Coulomb functions allows us to vali…
Generalized Sturmian Functions in prolate spheroidal coordinates
D. M. Mitnik, F. A. Lopez, L. U. Ancarani
With the aim of describing bound and continuum states for diatomic molecules, we develop and implement a spectral method that makes use of Generalized Sturmian Functions (GSF) in p…
Quasi Sturmian Basis in Two-Electron Continuum Problems
A. S. Zaytsev, L. U. Ancarani, S. A. Zaytsev
A new type of basis functions is proposed to describe a two-electron continuum which arises as a final state in electron-impact ionization and double photoionization of atomic syst…