Full quantum calculations are performed to investigate the broadening profiles of the atomic lithium Li（2s-2p） resonance line induced by interactions with ground Ne（2s^22p^6） perturbers in the spectral wings and c...Full quantum calculations are performed to investigate the broadening profiles of the atomic lithium Li（2s-2p） resonance line induced by interactions with ground Ne（2s^22p^6） perturbers in the spectral wings and core. The X^2Σ~＋, A^2Π,and B^2Σ~＋ potential-energy curves of the two first low lying Li Ne molecular states, as well as the corresponding transition dipole moments, are determined with ab initio methods based on the SA-CASSCF-MRCI calculations. The emission and absorption coefficients in the wavelength range 550-800 nm and the line-core width and shift are investigated theoretically for temperatures ranging from 130 K to 3000 K. Their temperature dependence is analyzed, and the obtained results are compared with the previous experimental measurements and theoretical works.展开更多
Full quantum mechanical calculations are performed to determine the broadening in the far wings of the cesium D1 and D2 line shapes arising from elastic collisions of Cs atom with inert helium atoms. The potential ene...Full quantum mechanical calculations are performed to determine the broadening in the far wings of the cesium D1 and D2 line shapes arising from elastic collisions of Cs atom with inert helium atoms. The potential energy curves of the low-lying CsHe molecular states, as well as the related transition dipole moments, are carefully computed from ab initio methods based on state-averaged complete active space self-consistent field-multireference configuration interaction(SACASSCF-MRCI) calculations, involving the spin-orbit effect, and taking into account the Davidson and BSSE corrections.The absorption and emission reduced coefficients are determined in the temperature and wavelength ranges of 323-3000 K and 800-1000 nm, respectively. Both profiles of the absorption and the emission are dominated by the free-free transitions,and exhibit a satellite peak in the blue wing near the wavelength 825 nm, attributed to B^2Σ1/2^+→ X^2Σ1/2^+/transitions. The results are in good agreement with previous experimental and theoretical works.展开更多
The pressure broadening in the far wings, where the sodium Na(3 p ← 3 s) resonance line is perturbed by ground lithium Li(2 s) atoms, has been theoretically analyzed. The NaLi potential–energy curves and the transit...The pressure broadening in the far wings, where the sodium Na(3 p ← 3 s) resonance line is perturbed by ground lithium Li(2 s) atoms, has been theoretically analyzed. The NaLi potential–energy curves and the transition dipole moments are constructed by using a reliable ab initio data points to carry out the reduced-absorption coefficients k_r(ν, T). This quantum-mechanical investigation have demonstrated that the NaLi profile spectra show a satellite future in the red wing at wavelength λ = 685 nm in the temperature range 4000 K–1.8 × 10~4 K. The computation could also exhibit a second satellite, in the blue wing, near the wavelength λ = 574 nm beyond 6000 K and a third peak located at λ = 490 nm which begins to appear at 1.8 × 10~4 K.展开更多
文摘Full quantum calculations are performed to investigate the broadening profiles of the atomic lithium Li（2s-2p） resonance line induced by interactions with ground Ne（2s^22p^6） perturbers in the spectral wings and core. The X^2Σ~＋, A^2Π,and B^2Σ~＋ potential-energy curves of the two first low lying Li Ne molecular states, as well as the corresponding transition dipole moments, are determined with ab initio methods based on the SA-CASSCF-MRCI calculations. The emission and absorption coefficients in the wavelength range 550-800 nm and the line-core width and shift are investigated theoretically for temperatures ranging from 130 K to 3000 K. Their temperature dependence is analyzed, and the obtained results are compared with the previous experimental measurements and theoretical works.
文摘Full quantum mechanical calculations are performed to determine the broadening in the far wings of the cesium D1 and D2 line shapes arising from elastic collisions of Cs atom with inert helium atoms. The potential energy curves of the low-lying CsHe molecular states, as well as the related transition dipole moments, are carefully computed from ab initio methods based on state-averaged complete active space self-consistent field-multireference configuration interaction(SACASSCF-MRCI) calculations, involving the spin-orbit effect, and taking into account the Davidson and BSSE corrections.The absorption and emission reduced coefficients are determined in the temperature and wavelength ranges of 323-3000 K and 800-1000 nm, respectively. Both profiles of the absorption and the emission are dominated by the free-free transitions,and exhibit a satellite peak in the blue wing near the wavelength 825 nm, attributed to B^2Σ1/2^+→ X^2Σ1/2^+/transitions. The results are in good agreement with previous experimental and theoretical works.
文摘The pressure broadening in the far wings, where the sodium Na(3 p ← 3 s) resonance line is perturbed by ground lithium Li(2 s) atoms, has been theoretically analyzed. The NaLi potential–energy curves and the transition dipole moments are constructed by using a reliable ab initio data points to carry out the reduced-absorption coefficients k_r(ν, T). This quantum-mechanical investigation have demonstrated that the NaLi profile spectra show a satellite future in the red wing at wavelength λ = 685 nm in the temperature range 4000 K–1.8 × 10~4 K. The computation could also exhibit a second satellite, in the blue wing, near the wavelength λ = 574 nm beyond 6000 K and a third peak located at λ = 490 nm which begins to appear at 1.8 × 10~4 K.
