TY  - JOUR
A1  - Nest, Mathias
A1  - Ludwig, M.
A1  - Ulusoy, I.
A1  - Klamroth, Tillmann
A1  - Saalfrank, Peter
T1  - Electron correlation dynamics in atoms and molecules
JF  - The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr
N2  - In this paper, we present quantum dynamical calculations on electron correlation dynamics in atoms and molecules using explicitly time-dependent ab initio configuration interaction theory. The goals are (i) to show that in which cases it is possible to switch off the electronic correlation by ultrashort laser pulses, and (ii) to understand the temporal evolution and the time scale on which it reappears. We characterize the appearance of correlation through electron-electron scattering when starting from an uncorrelated state, and we identify pathways for the preparation of a Hartree-Fock state from the correlated, true ground state. Exemplary results for noble gases, alkaline earth elements, and selected molecules are provided. For Mg we show that the uncorrelated state can be prepared using a shaped ultrashort laser pulse.
Y1  - 2013
U6  - https://doi.org/10.1063/1.4801867
SN  - 0021-9606
SN  - 1089-7690
VL  - 138
IS  - 16
PB  - American Institute of Physics
CY  - Melville
ER  -