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Hartree-Fock dynamical electron-correlation effects in C60 after laser excitation
1Department of Physics, Indiana State University, Terre Haute, IN 47809, USA.
Physical Review Letters
|November 13, 2003
Summary
Laser excitation reveals dynamical correlation effects in C60, originating from charge fluctuations. Increased electron-electron interaction suppresses these fluctuations, reducing absorbed energy and structural distortion.
Area of Science:
- Solid-state physics
- Quantum chemistry
- Materials science
Background:
- In static Hartree-Fock approximation, on-site electron-electron interactions do not influence C60 electronic properties.
- Laser excitation introduces dynamical correlation effects not present in static models.
Purpose of the Study:
- To investigate the role of dynamical correlation effects in laser-excited C60.
- To understand how on-site electron-electron interactions modulate these effects.
Main Methods:
- Utilized time-dependent Hartree-Fock (TDHF) simulations.
- Employed the Hubbard model to represent electron-electron interactions.
Main Results:
- Dynamical correlation effects in laser-excited C60 arise from charge fluctuations.
- Increased on-site electron-electron interaction strength suppresses charge fluctuations.
- Suppressed charge fluctuations lead to reduced absorbed energy and bond structure distortion.
Conclusions:
- Dynamical correlation is crucial for understanding laser-excited C60.
- On-site electron-electron interactions play a significant role in tuning the response of C60 to laser excitation.