ISSN:
0020-7608
Keywords:
density matrix response functions
;
N-scaling
;
time-dependent Hartree-Fock
;
nonlinear response
;
bosonization
;
carotenoids
;
Chemistry
;
Theoretical, Physical and Computational Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The response of the single-electron density matrix of a many-electron system to an external field is calculated using the time-dependent Hartree-Fock (TDHF) technique. A procedure for inverting the resulting nonlinear response functions to obtain an effective quantum multilevel system that has the same response is developed. The number of effective states is gradually increased as higher-order nonlinearities are computed. The complete set of intrastate and interstate density matrices and excited-state energies can be calculated. A favorable N-scaling of computational effort with size can be obtained making use of the localization of the optical transitions in real space. © 1998 John Wiley & Sons, Inc. Int J Quant Chem 70: 711-727, 1998
Additional Material:
5 Ill.
Type of Medium:
Electronic Resource
