activity
20112022
most citedCalculating vibrational spectra with sum of product basis functions without storing full-dimensional vectors or matrices

84 citations · 236 across the 17 of their papers we have counts for

collaborators

17 papers

quant-ph2022★ 6 cited

Consistency between adiabatic and nonadiabatic geometric phases for nonselfadjoint hamiltonians

David Viennot, Arnaud Leclerc, Georges Jolicard +1

We show that the adiabatic approximation for nonselfadjoint hamiltonians seems to induce two non-equal expressions for the geometric phase. The first one is related to the spectral…

physics.chem-ph2021★ 9 cited

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…

quant-ph2021★ 4 cited

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…

physics.comp-ph2020★ 9 cited

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…

physics.comp-ph2020

Calculating eigenvalues and eigenvectors of parameter-dependent hamiltonians using an adaptative wave operator method

Arnaud Leclerc, Georges Jolicard

We propose a wave operator method to calculate eigenvalues and eigenvectors of large parameter-dependent matrices, using an adaptative active subspace. We consider a hamiltonian wh…

quant-ph2017★ 16 cited

Exotic states in the strong field control of H dissociation dynamics: From exceptional points to zero-width resonances

Arnaud Leclerc, David Viennot, Georges Jolicard +2

H is an ideal candidate for a detailed study of strong field coherent control strategies inspired by basic mechanisms referring to some specific photodissociation resonances.…