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The effect of field modulation on the vibrational population of the photoassociated NaK and its dynamics 下载免费PDF全文
This paper presents calculation results for the photoassociation of a NaK molecule with a two-color modulated laser and gives a detailed analysis about them.For the two-step photoassociation process in intense fields,the effect of two-color modulated laser parameters,such as relative phase,envelope period,and laser intensity,on the population of the molecular electronic state can be obtained by solving the time-dependent Schrodinger equation through the quantum wave packet method.The numerical simulation shows not only that the influence of laser parameters on the vibrational distribution presents some regularity,but also that a higher population in the ground electronic state can be realized through adjusting these laser parameters. 相似文献
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(E,E)-1,4-双{2''-[5''-(B,B-二甲基苯硼)-2-噻吩基]乙烯基}-苯分子双光子吸收特性的理论研究 总被引:1,自引:0,他引:1
在密度泛函水平上,利用响应函数方法,研究了分子的单光子和双光子吸收特性.计算出了该分子在低能量范围内的最大双光子吸收截面为6.47×10-47cm4s/photon,与实验符合的较好.研究结果表明该分子具有较强的双光子吸收特性,是较好的双光子吸收材料. 相似文献
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对实验室合成的双共轭链分子1,4-二(4-二乙胺基苯乙烯基)-2-[4-(N-甲基-N-羟乙基)氨基-4′-硝基偶氮苯]-5-己烷氧基苯(BSBAB)及合成它的单共轭链分子的单光子和双光子吸收特性在从头计算的基础上利用密度泛函理论进行了研究.分子BSBAB的优化结构显示,组成该分子的横链和纵链除了保持各自的共轭面外,几近相互垂直.因此,分子BSBAB较好地继承了两个单共轭链分子的光学特性.计算结果表明,在低能量范围内,分子BSBAB具有三个双光子吸收峰,分别来自于两个单共轭链分子以及两者的耦合作用.从理论上证明了双共轭链分子BSBAB是一种具有宽带强双光子吸收的分子材料.理论结果和实验结果符合得较好.在HF水平上的响应函数方法进一步证实了有限态求和方法计算结果的可靠性.还给出了电荷转移态的电荷迁移过程.
关键词:
双光子吸收
双共轭链有机分子
非线性光学 相似文献
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Quasiclassical trajectory (QCT) calculations have been performed for the abstraction reaction, D' +DS(v = 0, j = 0)→D'D+S on a new LZHH potential energy surface (PES) of the adiabatic 3A' electronic state [Lü et al. 2012 J. Chem. Phys. 136 094308]. The collision energy effect on the integral cross section and product polarization are studied over a wide collision energy range from 0.1 to 2.0 eV. The cross sections calculated by the QCT procedure are in good accordance with previous quantum wave packet results. The three angular distribution functions, P(θr), P(φr), and P(θr,φr), together with the four commonly used polarization-dependent differential cross sections ((2π/σ)(ds00/dωt), (2π/σ)(ds20/dωt), (2π/σ)(ds22+/dωt), (2π/σ)(ds21-/dωt)) are obtained to gain insight into the chemical stereodynamics of the title reaction. Influences of the collision energy on the product polarization are exhibited and discussed. 相似文献
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Controls for the generations of high-order harmonics and attosecond pulses by infrared laser field combined with a low-frequency pulse 下载免费PDF全文
We investigate high-order harmonic generations by controlling various quantum paths of harmonics in an infrared laser field which combines a low-frequency pulse. Both classical theory and quantum wavelet transform method are used to understand the physics of harmonics. By adjusting the carrier envelope phase of the fundamental field, the intensities of harmonic spectra increase and the harmonics in the plateau become regular. Attosecond pulses each with a duration of 58 as are obtained directly by compressing the harmonics, and with phase compensation an isolated attosecond pulse less than 30 as can be generated. 相似文献
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Controls for the generation of high-order harmonics and attosecond pulses by an infrared laser field combined with a low-frequency pulse 下载免费PDF全文
We investigate high-order harmonic generations by controlling various quantum paths of harmonics in an infrared laser field which combines a low-frequency pulse.Both classical theory and the quantum wavelet transform method are used to understand the physics of harmonics.By adjusting the carrier envelope phase of the fundamental field,the intensities of harmonic spectra increase and the harmonics in the plateau become regular.Attosecond pulses each with a duration of 58 as are obtained directly by compressing the harmonics,and with phase compensation an isolated attosecond pulse less than 30 as can be generated. 相似文献
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在密度泛函水平上,利用响应函数方法,研究了分子的单光子和双光子吸收特性.计算出了该分子在低能量范围内的最大双光子吸收截面为6.47×10-47 cm4 s/photon,与实验符合的较好.研究结果表明该分子具有较强的双光子吸收特性,是较好的双光子吸收材料. 相似文献