Name
Title | ||
|---|---|---|
Electron Symmetry Breaking During Attosecond Charge Migration Induced By Laser Pulses: Point Group Analyses For Quantum Dynamics |
Abstract | ||
|---|---|---|
Quantum simulations of the electron dynamics of oriented benzene and Mg-porphyrin driven by short (<10 fs) laser pulses yield electron symmetry breaking during attosecond charge migration. Nuclear motions are negligible on this time domain, i.e., the point group symmetries G = D-6h and D-4h of the nuclear scaffolds are conserved. At the same time, the symmetries of the one-electron densities are broken, however, to specific subgroups of G for the excited superposition states. These subgroups depend on the polarization and on the electric fields of the laser pulses. They can be determined either by inspection of the symmetry elements of the one-electron density which represents charge migration after the laser pulse, or by a new and more efficient group-theoretical approach. The results agree perfectly with each other. They suggest laser control of symmetry breaking. The choice of the target subgroup is restricted, however, by a new theorem, i.e., it must contain the symmetry group of the time-dependent electronic Hamiltonian of the oriented molecule interacting with the laser pulse(s). This theorem can also be applied to confirm or to falsify complementary suggestions of electron symmetry breaking by laser pulses. |
Year | DOI | Venue |
|---|---|---|
2021 | 10.3390/sym13020205 | SYMMETRY-BASEL |
Keywords | DocType | Volume |
attosecond chemistry, benzene, charge migration, group theory, laser control, Mg-porphyrin, point groups D-4h, D-6h and subgroups, symmetry breaking | Journal | 13 |
Issue | Citations | PageRank |
2 | 0 | 0.34 |
References | Authors | |
0 | 5 | |
Name | Order | Citations | PageRank |
|---|---|---|---|
| Dietrich Haase | 1 | 0 | 0.34 |
| Gunter Hermann | 2 | 0 | 0.34 |
| Jörn Manz | 3 | 0 | 0.34 |
| Vincent Pohl | 4 | 0 | 0.34 |
| Jean Christophe Tremblay | 5 | 0 | 0.34 |