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100%
Acta Physica Polonica A
|
2009
|
vol. 115
|
issue 3
647-652
EN
The geometry of spiropyran molecule and its derivatives was found using quasi-Newton methods, Broyden-Fletcher-Goldfarb-Shanno technique. Then ab initio quantum chemical methods were applied to calculate the ground state energies of the closed and open forms of spiropyran for different basis sets. The frequency dependent linear polarizability of spiropyran and derivatives were obtained and plotted. The found absorption peaks are different for the closed and the open structures of the spiropyran molecule.
EN
The values of electronic polarizabilities of La³⁺, Ga³⁺, Si⁴⁺, O²¯ ions are specified using new experimental data about optical activity of La₃Ga₅SiO₁₄ crystals. A calculation technique based on the dipole electron shifting model is applied to estimate linear electrooptic coefficients for the La₃Ga₅SiO₁₄. Wavelength dependences of the both linear electro-optic tensor components r₁₁ and r₄₁ are calculated.
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Two-Level Atom at Finite Temperature

100%
Acta Physica Polonica A
|
2009
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vol. 116
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issue 6
994-1005
EN
Properties of a two-level atom coupled to the quantized electromagnetic field at finite temperature are determined. The analysis is based on a new method (inspired by quantum electrodynamics) of describing qubits, developed previously at zero temperature. In this paper, we make a generalization to finite temperature by introducing the Matsubara formalism and the temperature propagators. We analyze the spectral properties of different types of propagators and we derive a direct connection between the temperature propagators and the real time propagators. To show the effectiveness of this method, we calculate the temperature dependence of the polarizability of a two-level atom in the lowest order of perturbation theory and we predict an unexpected sharpening of the resonance. The whole discussion is carried out without the rotating wave approximation.
Acta Physica Polonica A
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2007
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vol. 112
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issue S
S-95-S-104
EN
Precise values for electric dipole moments of isolated acetone and acetic acid molecules were determined from the Stark effect measurements made on lowest J rotational transitions at conditions of supersonic expansion. The new results areμ_{tot} =μ_b =2.9345(22) D for acetone from measurements on the 1_{11}← 1_{01} transition, andμ_a =0.8631(8),μ_b =1.4345(11),μ_{tot} =1.6741(10) D for acetic acid, from measurements on 1_{11}← 0_{00} and 1_{01}←0_{00} transitions. A comparison with previous determinations and with results of quantum chemical calculations is presented.
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