A sizable enhancement of the circular dichroism in photoelectron spectroscopy has been measured and computed for the metal complex \u394-cobalt(III) tris-acetylacetonate highest occupied molecular orbital state in the region of the Co 3p\u21923d Fano resonance. In the resonance the dichroism reaches the maximum value of 5% and even changes its sign as compared to the direct photoionization channel. We ascribe this enhancement to electron correlation processes, namely, with the coupling between discrete excitations and the continuum, which is correctly described in the time dependent density functional theory (TDDFT) framework. These findings open new physical aspects of photoelectron circular dichroism that now can be interpreted not only v...
Computational modeling of optical activity, circular dichroism (CD) and optical rotatory dispersion,...
International audienceThe electronic structure and circular dichroism spectra of the ytterbium(III) ...
International audienceThe calculation of magnetic transition dipole moments and rotatory strengths w...
A comparison between theoretical and experimental results for the photoelectron intensity and circul...
International audienceChiral transition-metal complexes are of interest in many fields ranging from ...
The theory of circular dichroism (CD) is presented including both the magnetic-dipole electric-dipol...
We re-examine the theory of electronic and vibrational circular dichroism spectroscopy in terms of t...
Were-examinethetheoryofelectronicandvibrationalcirculardichroismspectroscopyin terms of the formalis...
The dynamical behavior of circular dichroism for valence photoionization processes in pure enantiome...
The dynamical behavior of circular dichroism for valence photoionization processes in pure enantiome...
Spectroscopies based on circular polarized light are sensitive to the electronic and structural prop...
The linear combination of atomic orbitals B-spline density functional method has been successfully a...
Electron–nuclei coupling accompanying excitation and relaxation processes is a fascinating phenomeno...
Author Institution: Department of Chemistry, Brookhaven National Laboratory; Upton, NY 11973-5000, ...
The determination of the molecular structure in solution is an important target of modern chemistry....
Computational modeling of optical activity, circular dichroism (CD) and optical rotatory dispersion,...
International audienceThe electronic structure and circular dichroism spectra of the ytterbium(III) ...
International audienceThe calculation of magnetic transition dipole moments and rotatory strengths w...
A comparison between theoretical and experimental results for the photoelectron intensity and circul...
International audienceChiral transition-metal complexes are of interest in many fields ranging from ...
The theory of circular dichroism (CD) is presented including both the magnetic-dipole electric-dipol...
We re-examine the theory of electronic and vibrational circular dichroism spectroscopy in terms of t...
Were-examinethetheoryofelectronicandvibrationalcirculardichroismspectroscopyin terms of the formalis...
The dynamical behavior of circular dichroism for valence photoionization processes in pure enantiome...
The dynamical behavior of circular dichroism for valence photoionization processes in pure enantiome...
Spectroscopies based on circular polarized light are sensitive to the electronic and structural prop...
The linear combination of atomic orbitals B-spline density functional method has been successfully a...
Electron–nuclei coupling accompanying excitation and relaxation processes is a fascinating phenomeno...
Author Institution: Department of Chemistry, Brookhaven National Laboratory; Upton, NY 11973-5000, ...
The determination of the molecular structure in solution is an important target of modern chemistry....
Computational modeling of optical activity, circular dichroism (CD) and optical rotatory dispersion,...
International audienceThe electronic structure and circular dichroism spectra of the ytterbium(III) ...
International audienceThe calculation of magnetic transition dipole moments and rotatory strengths w...