空间波函数的对称性对氦原子双光子双电离过程中电子关联的影响

通过数值求解含时薛定谔方程,研究了氦原子具有对称空间波函数的1s2s 1S态和具有反对称空间波函数的1s2s 3S态分别作为初态的双光子双电离过程. 结果表明,对于初态为单重态1s2s 1S的双光子双电离过程,两个电离电子的能量分布随激光脉冲持续时间的增加呈现由单峰到双峰的变化,这里的单峰和双峰分别意味着两个电离电子主要携带相等和不等的能量;然而对于初态为三重态1s2s 3S的双光子双电离过程,两个电离电子的能量分布随激光脉冲持续时间的增加总是保持双峰结构. 这些结果表明当原子的初态处于反对称空间波函数时,两电子的空间密度分布具有较少的重叠,从而导致电子在超短激光脉冲中电离时电子关联能无法平均分配.     

基于多组态含时Hartree-Fock方法研究电子关联对于H_2分子强场电离的影响

发展了三维的处理双原子分子非微扰电子动力学的多组态含时Hartree-Fock方法,并利用该方法研究了电子关联对于H_2分子强场电离概率的影响.该方法采用能够精确处理双中心库仑势的椭球坐标系,以及减小双电子积分计算量的有限元-离散变量基函数方法.利用多组态含时Hartree-Fock方法计算了H_2分子随分子取向角度变化的XUV光电离结果,并通过与单组态结果的对比研究了电子关联对于单电离和双电离概率的不同影响.研究表明,电子关联对于单电离过程影响很小,而在双电离过程中则发挥了重要作用,导致了电离概率的减小.该方法为进一步研究强场物理过程中的电子关联效应奠定了基础.     

Ionization of a molecular hydrogen ion by a strong low-frequency electromagnetic field of laser radiation

Simple analytical expressions are obtained for the energy and angular distributions of outgoing electrons in ionization of a molecular hydrogen ion by a strong low-frequency electromagnetic field as well as for the ionization probabilities per unit time. The cases of linear and circular polarization of the laser radiation are studied. It is shown that in contrast to the case of the ionization of atoms oscillations appear in the energy spectra of the photoelectrons as a function of their kinetic energy. The well-known limits for the tunneling ionization probabilities for the hydrogen atom by a strong low-frequency alternating field are obtained in the case of large internuclear separations. Zh. é ksp. Teor. Fiz. 113, 583–592 (February 1998)     

Multiphoton and tunneling ionization of atoms in an intense laser field

We study the ionization probabilities of atoms by a short laser pulse with three different theoretical methods,i.e.,the numerical solution of the time-dependent Schro¨dinger equation(TDSE),the Perelomov-Popov-Terent’ev(PPT) theory,and the Ammosov-Delone-Krainov(ADK) theory.Our results show that laser intensity dependent ionization probabilities of several atoms(i.e.,H,He,and Ne) obtained from the PPT theory accord quite well with the TDSE results both in the multiphoton and tunneling ionization regimes,while the ADK results fit well to the TDSE data only in the tunneling ionization regime.Our calculations also show that laser intensity dependent ionization probabilities of a H atom at three different laser wavelengths of 600 nm,800 nm,and 1200 nm obtained from the PPT theory are also in good agreement with those from the TDSE,while the ADK theory fails to give the wavelength dependence of ionization probability.Only when the laser wavelength is long enough,will the results of ADK be close to those of TDSE.     

Theory of collision-induced ionization of adsorbed species on solid surfaces in the presence of laser radiation

A formalism is proposed for treating the problem of ionization of adsorbed species on solid surfaces. The ionizing agents are taken to be impact atoms and laser radiation with frequency low compared to the inverse of characteristic collision times. The physical constraints of short collision times and low laser frequency then allow one to treat the adatom-surface-plus-field system under the quasi-static approximation (QSA) and the impact-atom-adatom-surface collision dynamics under the impulse approximation (IMA). The latter leads to a time-dependent ionization cross-section which is factorizable into the square of an electron-atom scattering matrix element and a spectral function describing the energy-momentum distribution of electrons in the adatom-surface-plus-field system. The formalism focuses on the spectral function which is shown to be derivable from a single-particle Green's function exactly calculable for the present problem.     

Electron correlations observed through intensity interferometry

Intensity interferometry was applied to study electron correlations in doubly ionizing ion-atom collisions. In this method, the probability to find two electrons emitted in the same double ionization event with a certain momentum difference is compared to the corresponding probability for two uncorrelated electrons from two independent events. The ratio of both probabilities, the so-called correlation function, is found to sensitively reveal electron correlation effects, but it is rather insensitive to the collision dynamics.     

强激光场中长程势与短程势原子产生高次谐波与电离特性研究

用数值方法求解含时薛定谔方程，研究了具有长程势和短程势的一维原子在强激光场中的高次谐波和电离特性. 在强激光场中，长程势和短程势原子产生的高次谐波具有相似的特性，对应的平台和截止位置相同，但是短程势原子没有低阶的高次谐波，而长程势和短程势原子在激光场中的电离概率明显不同. 研究结果表明，原子的激发态结构对低阶的高次谐波和原子的电离概率有重要影响. 关键词： 强激光场 高次谐波 电离概率     

Multiphoton ionization of the hydrogen atom exposed to circularly or linearly polarized laser pulses

This paper studies the multiphoton ionization of the hydrogen atom exposed to the linearly or circularly polarized laser pulses by solving the time-dependent Schr?dinger equation. It finds that the ratio of the ionization probabilities by linearly and circularly polarized laser pulses varies with the numbers of absorbing photons. With the same laser intensity, the circularly polarized laser pulse favors to ionize the atom with more ease than the linearly polarized laser pulse if only two or three photons are necessary to be absorbed. For the higher order multiphoton ionization, the linearly polarized laser pulse has the advantage over circularly polarized laser pulse to ionize the atom.     

Few cycle dynamics of multiphoton double ionization

In intense field ionization, an electron removed from the atomic core oscillates in the combined fields of the laser and the parent ion. This oscillation forces repeated revivals of its spatial correlation with the bound electrons. The total probability of double ionization depends on the number of returns and therefore on the number of optical periods in the laser pulse. We observed the yield of Ne(2+) relative to Ne(+) with 12 fs pulses to be clearly less compared to 50 fs pulses in qualitative agreement with our theoretical model.     

碱金属团簇Na2在重离子作用下的离化

在时间相关的局域密度近似理论框架下研究了重离子Ar8+ 和碱金属团簇Na2 随时间演化的相互作用 .给出了电子系统的总能量 ,产生Na2 的各种电荷态的几率和Na2 价电子的平均逃逸数等物理量随时间的演化 ,进而得到了Na2 的离化几率 .在快重离子与团簇作用中 ,可以得到低激发态的团簇离子. Based on the Time Dependent Local Density Approximation(TDLDA), the processes of excitation of sodium clusters by highly charged Ar 8+ions are simulated. The time-dependent probabilities of escaped electrons are obtained, furthermore, the ionization probabilities of the Na 2clusters are deduced.In fast ion-cluster collisions, Na 2cluster ions can be produced with minimum or even no excitation of the cluster itself     

TDDFT study of excitation of water molecules with short laser pulses

We explore the excitation of water molecules subject to short and intense laser pulses in the frame of time-dependent density function theory (TDDFT) at the level of the time-dependent local-density approximation (TDLDA), applied to valence electrons, coupled non-adiabatically to molecular dynamics (MD) of ions. We first study the optical absorption spectra of the water molecule as an observable in the "linear" domain and results are in good agreement with experiments. We then explore the influence of the laser frequency on the excitation. It is found that when the laser frequency is off-resonant or highly above the resonant region, the excitations are weak whereas for the resonant frequency case, the ionization is enhanced and bond lengths are enlarged. Furthermore, a direct coupling of ions with the laser pulse with the off-resonant frequency is found when investigating the OH bond lengths. We finally study the effect of laser intensity on the excitation of H 2 O and it is found that ionization increases when the laser intensity varies from low to high and we observe stable vibrations to Coulomb fragmentation when the ionization is up to typically two more charge units.     

Multiphoton resonant ionization of hydrogen atom exposed to two-colour laser pulses

This paper studies the multiphoton resonant ionization by two-colour laser pulses in the hydrogen atom by solving the time-dependent Schroedinger equation. By fixing the parameters of fundamental laser field and scanning the frequency of second laser field, it finds that the ionization probability shows several resonance peaks and is also much larger than the linear superposition of probabilities by applying two lasers separately. The enhancement of the ionization happens when the system is resonantly pumped to the excited states by absorbing two or more colour photons non-sequentially.     

强激光场中模型氢原子和真实氢原子的高次谐波与电离特性研究

利用数值方法求解含时薛定谔方程，研究了一维、二维模型氢原子和真实的三维氢原子在强激光场中产生的高次谐波和电离特性.结果表明，在多光子电离区域和过垒电离区域，模型氢原子与真实的氢原子产生的高次谐波和电离概率差别很小；在隧道电离区域，它们产生的高次谐波的平台特征和截止位置相似，电离概率随时间变化的趋势相近，但其数值有明显的差异.对产生这种差异的原因进行了分析. 关键词： 强激光场 高次谐波 电离概率     

High-order harmonic generation and multi-photon ionization of Na2 in laser fields

In this paper high-order harmonic generation （HHG） spectra and the ionization probabilities of various charge states of small cluster Na2 in the multiphoton regimes are calculated by using time-dependent local density approximation （TDLDA） for one-colour （1064 nm） and two-colour （1064 nm and 532 nm） ultrashort （25 fs） laser pulses. HHG spectra of Na2 have not the large extent of plateaus due to pronounced collective effects of electron dynamics. In addition, the two-colour laser field can result in the breaking of the symmetry and generation of the even order harmonic such as the second order harmonic. The results of ionization probabilities show that a two-colour laser field can increase the ionization probability of higher charge state.     

H2O分子在不同电荷态的重离子作用下的离化

利用含时密度泛函理论和局域密度近似方法，计算了H2O分子在速度为12．5α0／fs的重离子C^＋和C^2＋作用下产生的各种电荷态的H2O分子离子的几率、平均逃逸电子数和偶极矩的变化随时间的演化。计算结果表明，在重离子势最大时，电偶极矩的变化最大，重离子的电荷态越高，得到高电荷态H2O分子的几率越大；重离子远离分子时，电偶极矩的变化趋于平缓。The time-dependent density functional theory （TDDFT） and local density approximation （LDA） are used to calculate the dipole moment changes, the ionization probabilities of the H20 molecule and the time-dependent probabilities of escaped electrons in the process of excitation of H2O molecule by C^＋ , C^2＋ with energy of 2.3 MeV/u. It is shown that the dipole moment changes of H2O are the greatest and the higher the charge staate of heavy ion, the bigger the probabilities of the high charge state of H2O molecule at maximal heavy ion potential. The dipole moment changes slightly when heavy ion leaved far from molecule.     

同位素分子对高次谐波产率的影响

利用含时波包加上傅里叶变换方法研究强激光场中不同同位素分子对高次谐波产率的影响。运用电子与核运动的相干量子力学方法得到了电离电子与正离子的碰撞几率。通过对三种同位素分子H2,D2和T2的碰撞几率分布的对比,发现在前三个光周期内电离电子会多次返回与正离子发生碰撞,但是对应不同同位素分子的碰撞几率的最大值都出现在第一个光周期中。在后两个光周期内三种分子的碰撞几率分布表明较重同位素分子T2对应的碰撞几率最大。通过对三种同位素分子电离率的计算发现同位素分子中较重分子的电离率较高,而电离率越大高次谐波产率越大。因此,在同等条件下,重同位素分子对应较高的高次谐波产率。     

CO分子在线性极化飞秒激光场中的TDDFT研究

本文运用将含时密度泛函理论和分子动力学非绝热耦合的方法,研究了CO分子在不同强度、不同极化方向的激光场中的电离和动力学行为. 研究发现,激光强度越强,CO分子吸收的能量越多,电离越早且电离越强,CO分子键长变长且伸缩振动越剧烈. 此外,CO分子偶极矩的变化及峰值也随着激光强度的增强而增大. 对激光极化方向的研究发现,激光极化方向沿着CO分子轴向时,分子的电离最强且伸缩振动最剧烈. 当激光极化角增大时,CO分子的电离逐渐被抑制且电子的偶极振动对激光极化方向表现出较强的依赖性. 此外研究还表明,CO分子碳原子和氧原子周围电子的弥散方式不同且与激光极化方向有关. 关键词： 含时密度泛函理论 分子动力学 分子电离     

Strong-field molecular ionization: determination of ionization probabilities calibrated with field-free alignment

We report an original optical method providing the probability of molecular ionization induced by femtosecond laser pulses. The approach consists of exploiting molecular alignment to extract reliable information about ionization. The cross defocusing technique implemented for this purpose reveals a sensitivity with respect to postpulse alignment, as well as to the free electron density induced by the ultrashort laser pulse. The analysis of the resulting signal thus gives access to absolute single-ionization probabilities calibrated through the degree of alignment, provided that free electrons are produced mainly by single ionization. The relevance of the method is assessed in N2.     

多组态含时自旋非限制Hartree Fock理论 (cited: 1)

基于自旋非限制Hartree Fock理论,发展了自旋非限制多组态含时Hartree Fock理论方法来研究激光场中的多电子相关动力学．自旋向上和自旋向下的自旋轨道分别在他们各自的子空间内传播;并通过约化密度矩阵和平均场算符相互作用．分别利用了自旋限制和非限制的多组态含时Hartree Fock方法虚时和实时传播计算氦原子基态能量和电离几率．自旋非限制的计算结果与其他报道相合．     

Space and surface-state effects in multiphoton emission

We investigate multiphoton emission of electrons from solid surfaces in the presence of nonperturbative monochromatic laser fields. We study the dependence of transmission probabilities on surface states, the penetration depth of laser fields in solids and the size of the laser focus in vacuum. To this end we present a one-space-dimensional model which permits to study these problems and develop a numerically stable algorithm for solving the corresponding time-dependent Schrödinger equation.