Optical spectra and exchange-correlation effects in molecular crystals
نویسندگان
چکیده
منابع مشابه
Theory of isotopic effects in the optical spectra of lanthanide ions in crystals
Physical mechanisms contributing to the isotopic structure of spectra of the insulating activated crystals induced by the isotopic disorder in the host crystal or in a system of the impurity optical centers have been considered. The microscopic theory of the geometrical anharmonic isotopic effect is presented. We have shown that the local deformation due to a mass defect in the crystal lattice ...
متن کاملMultisite structure of optical spectra of activators in garnet crystals
The analysis of selective excitation and emission spectra of l'm3' in YAG and GGG laser systems is presented. The observed multisite structure is assigned to non-stoichiometric defects. Up to six centers are separated, with complex spectra connected with lowering of the local symmetry.
متن کاملVariational quantum Monte Carlo study of two-dimensional Wigner crystals: Exchange, correlation, and magnetic-field effects.
The two-dimensional Wigner crystals are studied with the variational quantum Monte Carlo method. The close relationship between the groundstate wavefunction and the collective excitations in the system is illustrated, and used to guide the construction of the ground-state wavefunction of the strongly correlated solid. Exchange, correlation, and magnetic field effects all give rise to distinct p...
متن کاملCorrelation effects in the optical spectra of porphyrin oligomer chains: exciton confinement and length dependence.
Excited states of ethylene-linked free-base porphyrin oligomers and polymer are studied using many-body perturbation theory (MBPT) within the GW approximation and the Bethe-Salpeter equation. Trends in the electronic levels with oligomer length are analysed and the correct long-range behaviour in the band gap is obtained. High polarizabilities and strong redshifts in the optical absorption peak...
متن کاملDominant Correlation Effects in Atomic Spectra
High double excitation of two-electron atoms has been investigated using hyperpherical coordinates within a modified adiabatic expansion technique. This modification creates a novel fictitious force leading to a spontaneous exchange symmetry breaking at high double excitation. The Pauli principle must therefore be regarded as approximation valid only at low excitation energy. Threshold electron...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Physical Review B
سال: 2008
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.77.161306