Abstract. The resonant states of HeH are computed by combining structure calculations at a full configuration interaction level with electron scattering calculations carried out using the Complex-Kohn variational method. We obtain the potential energy curves, autoionization widths, as well as non-adiabatic couplings among the resonant states. Using the non-adiabatic couplings, the adiabatic to diabatic transformation matrix can be obtained. A strict diabatization of the resonant states will be used to study various scattering processes where the resonant states are involved. These processes involve high energy dissociative recombination (DR) and ion-pair formation (RIP), resonant and direct dissociative excitation (DE), penning ionization (...
International audienceBound and resonance states of the dipole-bound anion of hydrogen cyanide HCN- ...
NOTE: Text or symbols not renderable in plain ASCII are indicated by [...]. Abstract is included i...
Using the ground potential energy surface[M. Ayouz \textit{et\, al}. J. Chem Phys \textbf{132} 19430...
The resonant states of HeH are computed by combining structure calculations at a full configuration ...
We have used structure and scattering calculations to determine the potential energy curves, non-adi...
International audienceWe present an ab initio study of the HeH + molecule. Using the quantum chemist...
In this thesis, we present a theoretical investigation of reactive processes involving the HeH$^+$ m...
The dissociative recombination of HeH+ is studied using multi-channel quantum defect theory. We inve...
This thesis is based on theoretical studies of molecular collisions occurring at relatively low to i...
We present a detailed computational analysis for the interaction between the vibrating/rotating mole...
The dissociative recombination of HeH+ is studied using multi-channel quantum defect theory. We inve...
We have extended the ab initio convergent close-couplingmethod to electron scattering from the vibra...
We present calculations of vibrationally resolved cross sections for excitation of the , B 1 Σ+u, C...
In this thesis we develop a nonlocal resonant theory for ab initio calculation of the cross sections...
Resonant states are multiply excited states in atoms and ions that have enough energy to decay by em...
International audienceBound and resonance states of the dipole-bound anion of hydrogen cyanide HCN- ...
NOTE: Text or symbols not renderable in plain ASCII are indicated by [...]. Abstract is included i...
Using the ground potential energy surface[M. Ayouz \textit{et\, al}. J. Chem Phys \textbf{132} 19430...
The resonant states of HeH are computed by combining structure calculations at a full configuration ...
We have used structure and scattering calculations to determine the potential energy curves, non-adi...
International audienceWe present an ab initio study of the HeH + molecule. Using the quantum chemist...
In this thesis, we present a theoretical investigation of reactive processes involving the HeH$^+$ m...
The dissociative recombination of HeH+ is studied using multi-channel quantum defect theory. We inve...
This thesis is based on theoretical studies of molecular collisions occurring at relatively low to i...
We present a detailed computational analysis for the interaction between the vibrating/rotating mole...
The dissociative recombination of HeH+ is studied using multi-channel quantum defect theory. We inve...
We have extended the ab initio convergent close-couplingmethod to electron scattering from the vibra...
We present calculations of vibrationally resolved cross sections for excitation of the , B 1 Σ+u, C...
In this thesis we develop a nonlocal resonant theory for ab initio calculation of the cross sections...
Resonant states are multiply excited states in atoms and ions that have enough energy to decay by em...
International audienceBound and resonance states of the dipole-bound anion of hydrogen cyanide HCN- ...
NOTE: Text or symbols not renderable in plain ASCII are indicated by [...]. Abstract is included i...
Using the ground potential energy surface[M. Ayouz \textit{et\, al}. J. Chem Phys \textbf{132} 19430...