| HOMO |
Highest occupied molecular orbital |
| LUMO |
Lowest unoccupied molecular orbital |
|
Amplitude of the electric field of a probe pulse |
|
Pump-probe time delay |
|
Central frequency of a probe pulse |
|
Wave vector of a probe pulse |
|
Polarization vector of a probe pulse |
|
Probe pulse duration |
|
Index for the initially excited molecule |
| j |
Index for the atom j
|
| m |
Index for the molecule m
|
| U |
Coulomb energy of an electron-hole pair localized on a single site |
| V |
Coupling between nearest-neighbor molecules |
|
Degree of the exciton intersite delocalization |
|
Expansion coefficients of the representation of the time-dependent wave function as eigenstates |
|
Expansion coefficients of the representation of the eigenstates of Frenkel Hamiltonian as basis states |
|
Expansion coefficients of the solution of the time-dependent Schrödinger equation |
|
Transition matrix element between core electron orbital of the atom j of
molecule m and |
|
|
HOMO of the same molecule |
|
Transition matrix element between core electron orbital of the
atom j of the molecule m and |
|
|
HOMO of the next-neighbor molecules |
|
Transition matrix element between core electron orbital of the atom j of the
molecule m and |
|
|
LUMO of the same molecule |
|
Transition matrix element between core electron of the atom
j of the molecule m and |
|
|
LUMO of the next-neighbor molecules |
|
Ground state of the molecule m
|
|
Ground state of a chain of molecules |
|
State which corresponds to an electron-hole pair located at the site m
|
|
Basis state of Frenkel Hamiltonian |
|
Eigenstate of Frenkel Hamiltonian |
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State of the molecule m with core hole at atom j
|
|
State of the molecule m with one electron in LUMO |
|
State of the molecule m with hole in HOMO |
|
Final state after absorption |
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Final state with a core hole at the atom j of the molecule m and an electron in LUMO of the molecule
|
|
Final state with a core hole at the atom j of the molecule m, an electron-hole pair at the site and electron in LUMO at the site
|