排序方式: 共有40条查询结果,搜索用时 31 毫秒
1.
It is shown on model calculations that crystal-field mixing of Frenkel excition states in molecular crystals lead not only to a redistribution of their relative intensities but also to changes in the vibrational structure of weak exciton bands. 相似文献
2.
Andrzejak M Sterzel M Pawlikowski MT 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2005,61(9):2029-2032
The absorption spectra of the N-(2,5-di-tert-butylphenyl) phthalimide (1-), N-(2,5-di-tert-butylphenyl)-1,8-naphthalimide (2-) and N-(2,5-di-tert-butylphenyl)-perylene-3,4-dicarboximide (3-) anion radicals are studied in terms of time dependent density functional theory (TDDFT). For these anion radicals a large number electronic states (from 30 to 60) was found in the visible and near-IR regions (5000-45,000 cm(-1)). In these regions the TD/B3LYP treatment at the 6-1+G* level is shown to reproduce satisfactorily the empirical absorption spectra of all three anion radicals studied. The most apparent discrepancies between purely electronic theory and the experiment could be found in the excitation region corresponding to D0-->D1 transitions in the 2- and 3- molecules. For these species we argue that the structures seen in the lowest energy part of the absorptions of the 2- and 3- species are very likely due to Franck-Condon (FC) activity of the totally symmetric vibrations not studied in this Letter. 相似文献
3.
Krzysztof Ciesielski Janusz Pawlikowski 《Proceedings of the American Mathematical Society》2002,130(7):2007-2013
We show that the property
- (P)
- for every Darboux function there exists a continuous nowhere constant function such that is Darboux
- (A)
- for every subset of of cardinality there exists a uniformly continuous function such that ,
- (B)
- for an arbitrary function whose image contains a non-trivial interval there exists an of cardinality such that the restriction of to is uniformly continuous,
4.
A gradient of carrier concentration in semiconductors can create a double-frequency internal electric field which is parallel to this gradient and perpendicular to the applied a.c. field. This warm-carrier effect was measured in silicon specimens with a gradient of electron concentration, at 77 and 300 K, under applied fields from 1 to 10 V m-1 and within the frequency range of 0.3–20 kHz. A comparison between experimental data and a theoretical model is discussed. 相似文献
5.
Janusz Pawlikowski 《Israel Journal of Mathematics》1996,93(1):171-183
We show that a setXυR has strong measure zero iff for every closed measure zero setFυR,F+X has measure zero.
Supported by KBN grant PB 2 1017 91 01. 相似文献
6.
The authors investigate an operation * on the subsets of ${\mathcal{P}(\mathbb{R})}$ . It is connected with Borel’s strong measure zero sets as well as strongly meager. The results concern the behaviour of the family of countable sets when * is applied. 相似文献
7.
Karolina Filipowska Marek T. Pawlikowski Marcin Andrzejak 《Molecules (Basel, Switzerland)》2021,26(23)
There is experimental evidence of high vibronic activity that accompanies the allowed transition between the ground state and the lowest electronic singlet excited state of oligofurans that contain two, three, and four furan rings. The absorption and emission spectra of the three lowest oligofurans measured at liquid nitrogen temperature show distinct fine structures that are reproduced using the projection-based model of vibronic coupling (with Dushinsky rotation included) parameterized utilizing either Density Functional Theory (DFT, with several different exchange-correlation functionals) or ab initio (CC2) quantum chemistry calculations. Using as a reference the experimental data concerning the electronic absorption and fluorescence for the eight lowest oligofurans, we first analyzed the performance of the exchange-correlation functionals for the electronic transition energies and the reorganization energies. Subsequently, we used the best functionals alongside with the CC2 method to explore how the reorganization energies are distributed among the totally symmetric vibrations, identify the normal modes that dominate in the fine structures present in the absorption and emission bands, and trace their evolution with the increasing number of rings in the oligofuran series. Confrontation of the simulated spectra with the experiment allows for the verification of the performance of the selected DFT functionals and the CC2 method. 相似文献
8.
We will show that if the cofinality of the ideal of Lebesgue measure zero sets is equal to then there exists a Boolean algebra B of cardinality which is not a union of strictly increasing -sequence of its subalgebras. This generalizes a result of Just and Koszmider who showed that it is consistent with that such an algebra exists.
Received November 21; accepted in final form April 12, 2001. 相似文献
9.
A study is reported of the effect of electronic state mixing on circular dichroism spectra of chiral molecules containing two identical chromophores. The CD spectrum of dimethyl-1,1'-bianthry1-2,2' dicarboxylate is intepreted in terms of such mixing between the 1La and 1Bb states of the anthracene moicty. 相似文献
10.