Resonant Auger spectra of the ethene molecule excited at energies across the C1s → π* energy band are reported. Our measurements address the unexpected variation of the intensity of the A state with respect to the other singly ionized valence states. An approach, based on group theory and calculations using Coulomb 4-center integrals, is proposed to explain the behaviour of the intensity of the ground state and excited states of the ion upon resonant excitation. The new method provides a calculationally inexpensive route to predict relative intensities of different resonant Auger bands in polyatomic molecules, without the need for an exhaustive knowledge of the potential energy surfaces of the electronic states involved
In this thesis we have performed core-electron spectroscopy studies of gas phase molecular systems s...
Approximate expressions for inelastic elements of the S matrix are given in terms of integrals over ...
We present high-resolution photoelectron–Auger-electron coincidence spectra of methane (CH4). Since ...
Resonant Auger spectra of the ethene molecule excited at energies across the C1s → π* energy band a...
We have measured the resonant Auger spectra of four simple organic molecules containing a carbonyl (...
Auger electron spectra of molecules are in general more complex than the spectra of the isolated co...
Analytic expressions of the direct, resonant and interference contributions to the differential cro...
Analytic expressions for the direct, resonant, and interference contributions to the differential cr...
In this study linear free energy relationships (LFER) are applied to the relaxation of core-excited ...
We present a theoretical and experimental study of the electronic structure of N-methyltrifluoroacet...
Abstract: The Auger cascades following the resonant 1s -> 3p and 1s -> 4p excitation of neutral neon...
An efficient approach to calculate shake-off satellite contributions to molecular Auger spectra is p...
International audienceWe propose a novel approach for an indirect probing of conjugation and hyperco...
An extended variant of the spin-restricted ensemble-referenced Kohn-Sham (REKS) method, the REKS(4,4...
A newly proposed quantum chemical approach for ab initio calculations of electronic spectra of molec...
In this thesis we have performed core-electron spectroscopy studies of gas phase molecular systems s...
Approximate expressions for inelastic elements of the S matrix are given in terms of integrals over ...
We present high-resolution photoelectron–Auger-electron coincidence spectra of methane (CH4). Since ...
Resonant Auger spectra of the ethene molecule excited at energies across the C1s → π* energy band a...
We have measured the resonant Auger spectra of four simple organic molecules containing a carbonyl (...
Auger electron spectra of molecules are in general more complex than the spectra of the isolated co...
Analytic expressions of the direct, resonant and interference contributions to the differential cro...
Analytic expressions for the direct, resonant, and interference contributions to the differential cr...
In this study linear free energy relationships (LFER) are applied to the relaxation of core-excited ...
We present a theoretical and experimental study of the electronic structure of N-methyltrifluoroacet...
Abstract: The Auger cascades following the resonant 1s -> 3p and 1s -> 4p excitation of neutral neon...
An efficient approach to calculate shake-off satellite contributions to molecular Auger spectra is p...
International audienceWe propose a novel approach for an indirect probing of conjugation and hyperco...
An extended variant of the spin-restricted ensemble-referenced Kohn-Sham (REKS) method, the REKS(4,4...
A newly proposed quantum chemical approach for ab initio calculations of electronic spectra of molec...
In this thesis we have performed core-electron spectroscopy studies of gas phase molecular systems s...
Approximate expressions for inelastic elements of the S matrix are given in terms of integrals over ...
We present high-resolution photoelectron–Auger-electron coincidence spectra of methane (CH4). Since ...