Hyperspherical partial wave approach has been applied here in the study of double photoionization of the helium atom for equal energy sharing geometry at 20 eV excess energy. Calculations have been done both in length and velocity gauges and are found to agree with each other, with the CCC results and with experiments and exhibit some advantages of the corresponding three particle wave function over other wave functions in use.
The 4He3 system is studied using the adiabatic hyperspherical representation. We adopt the current state-of-the-art helium interaction potential including retardation and the nonadditive three-body term, to calculate all low-energy properties of the triatomic 4He system. The bound state energies of the 4He trimer are computed as well as the 4He+4He2 elastic scattering cross sections, the three-body recombination and collision induced dissociation rates at finite temperatures. We also treat the system that consists of two 4He and one 3He atoms, and compute the spectrum of the isotopic trimer 4H…
We account for the different symmetries of the 2^{1,3}S helium excited states in a quasiclassical description of the knockout mechanism augmented by a quantum shakeoff contribution. We are thus able to formulate the separate contribution of the knockout and shakeoff mechanisms for double photoionization for any excess energy from the 2^{1,3}S states. Photoionization ratios and singly differential cross sections calculated for the 2^{1,3}S excited states of helium are found to be in very good agreement with recent theoretical results.
A fully relativistic calculation of the double photoionization of helium-like atoms is presented. The approach is based on the partial-wave representation of the Dirac continuum states and accounts for the retardation in the electron-electron interaction as well as the higher-order multipoles of the absorbed photon. The electron-electron interaction is taken into account to the leading order of perturbation theory. The relativistic effects are shown to become prominent already for the medium-Z ions, changing the shape and the asymptotic behaviour of the photon energy dependence of the ratio of…
Wave functions of a new functional kind have been proposed for Helium-like atoms in this work . These functions explicitly depend on interelectronic and hyperspherical coordinates. The best ground state energy for the Helium atom $ -2.903724376677 a.u.$ has been calculated with variational method with basis set of simple functions with a single exponential parameter. To the author's knowledge, this is the best result with use of hyperspherical coordinates so far. Comparable result has been obtained for the hydrogen anion. For Helium atom, our best wave functions matched the Kato cusp condition…
We investigate the angle-resolved photoelectron spectra from laser-assisted photoionization for helium and neon atoms using an \textit{ab initio} method based on time-dependent surface flux and configuration interaction singles. We find that the shape of the distributions can be interpreted using a propensity rule, an intrinsic difference in the absorption and emission processes, as well as interference effects between multiple paths to the final angular momentum state. In neon we find that the difference between absorption and emission is hidden in the first sideband due to the multiple compe…
The cross section for single K-shell ionization by a high-energy photon is evaluated in the next-to-leading order of the nonrelativistic perturbation theory with respect to the electron-electron interaction. The screening corrections are of particular importance for light helium-like ions. Even in the case of neutral He atom, our analytical predictions turn out to be in good agreement with the numerical calculations performed with the use of the sophisticated wave functions. The universal high-energy behavior is studied for the ratio of double-to-single photoionization cross sections. We also …
Different kinds of averaging of the wavefunctions/densities of the two-electron atomic systems are investigated. Using the Pekeris-like method, the ground state wave functions $Ψ$ of the helium-like atoms with nucleus charge $1\leq Z\leq5$ are calculated in a few coordinate systems including the hyperspherical coordinates $\left\{R,α,θ\right\}$. The wave functions $Ψ_{av}(R)$ of the hyperspherical radius $R$ are calculated numerically by averaging $Ψ$ over the hyperspherical angles $α$ and $θ$. The exact analytic representations for the relative derivatives $Ψ_{av}'(0)/Ψ_{av}(0)$ and $Ψ_{av}''…
In this paper, hyperspherical three-body model formalism has been applied for the calculation energies of the low-lying bound $^{1,3}$S (L=0)-states of neutral helium and helium like Coulombic three-body systems having nuclear charge (Z) in the range Z=2 to Z=92. The calculation of the coupling potential matrix elements of the two-body potentials has been simplified by the introduction of Raynal-Revai Coefficients (RRC). The three-body wave function in the Schrődinger equation when expanded in terms of hyperpherical harmonics (HH), leads to an infinite set of coupled differential equation (CDE…
Using the eigenchannel R-matrix method we calculate partial photoionization cross sections from the ground state of the helium atom for incident photon energies up to the N=9 manifold. The wide energy range covered by our calculations permits a thorough investigation of general patterns in the cross sections which were first discussed by Menzel and co-workers [Phys. Rev. A {\bf 54}, 2080 (1996)]. The existence of these patterns can easily be understood in terms of propensity rules for autoionization. As the photon energy is increased the regular patterns are locally interrupted by perturber st…
We investigate the photoionization spectrum of helium by attosecond XUV pulses both in the spectral region of doubly excited resonances as well as above the double ionization threshold. In order to probe for convergence, we compare three techniques to extract photoelectron spectra from the wavepacket resulting from the integration of the time-dependent Schroedinger equation in a finite-element discrete variable representation basis. These techniques are: projection on products of hydrogenic bound and continuum states, projection onto multi-channel scattering states computed in a B-spline clos…
Using extreme-ultraviolet attosecond-pulse-trains, we investigate the photoionization dynamics of a Helium atom in the presence of moderately-strong (~10^12 W/cm^2) femtosecond laser pulses. The electronic structure of a laser-dressed atom is traced in real-time through precision measurements of ion-yields and photo-electron angular distributions. Quantum interferences between photo-excitation paths are interpreted using the Floquet formalism. As the laser pulse intensity ramps on femtosecond timescales, we observe transitions between ionization channels mediated by different atomic resonances…
We discuss the results of the calculation of the photoionization with de-excitation of excited He and helium-like ions Li$^{+}$ and B$^{3+}$ at high but non-relativistic photon energies $ω$. Several lower $^{1}S$ and $^{3}S$ states are considered. We present and analyze the ratios $R_{d}^{+\ast}$ of the cross sections of photoionization with de-excitation, $σ_{(d)}^{+\ast}(ω)$, and of the photo-ionization with excitation, $σ^{+\ast}(ω)$. The dependence of $R_{d}^{+\ast}$ on the excitation of the target object and the charge of its nucleus is presented. Apart to theoretical interest, results ob…
The dynamics of vibrational wave packets in triplet states of rubidium dimers (Rb2) formed on helium nanodroplets are studied using femtosecond pump-probe photoionization spectroscopy. Due to fast desorption of the excited Rb2 molecules off the droplets and due to their low internal temperature, wave packet oscillations can be followed up to very long pump-probe delay times >1.5ns. In the first excited triplet state (1)^3Σ_g^+, full and fractional revivals are observed with high contrast. Fourier analysis provides high-resolution vibrational spectra which are in excellent agreement with ab ini…
We calculate the double differential distributions and distributions in recoil momenta for the high energy non-relativistic double photoionization of helium. We show that the results of recent experiments is the pioneering experimental manifestation of the quasifree mechanism for the double photoionization, predicted long ago in our papers. This mechanism provides a surplus in distribution over the recoil momenta at small values of the latter, corresponding to nearly "back-to-back" emission of the electrons. Also in agreement with previous analysis the surplus is due to the quadrupole terms of…
In this article we present triple differential cross sections for equal energy sharing kinematics for double photoionization of the helium atom at 20 and 40eV above threshold in the framework of the hyperspherical partial wave theory. This supplements our earlier work \cite{DCP03} in which we were successful in showing fully, gauge independence of the results in our formalism. Also in this work we treat cases in which the Stokes parameter S$_1 < 1$ so that partial polarization of the photon source is also taken into account. Agreement in shape with the Convergent Close Coupling \cite{BK03,HB98…
We study photoionization of various noble gas atoms by attosecond pulses produced in High Harmonic Generation (HHG). We use a pump-probe experiment to measure the time delays of electrons photoionized from Neon, Argon, and Krypton relative to those photoionized from Helium atoms. The Attosecond Pulse Train (APT) is characterized and the relative delay in photoionization of various noble gases is measured. The photoionization delay of Ne, Ar, and Kr is determined using previously calculated values for the He atomic delay and the delay associated with the probe process.
An improved hyperspherical harmonic method for the quantum three-body problem is presented to separate three rotational degrees of freedom completely from the internal ones. In this method, the Schrödinger equation of three-body problem is reduced to a system of linear algebraic equations in terms of the orthogonal bases of functions. As an important example in quantum mechanics, the energies and the eigenfunctions of some states of the helium atom and the helium-like ions are calculated.
We find approximate analytical presentation of the solutions $Ψ(r_1, r_2, r_{12})$ of Schrödinger equation for two-electron system bound by the nucleus, in the space region $r_{1,2}=0$ and $r_{12}=0$ that are of great importance for a number of physical processes. The presentation is based on the well known behavior of $Ψ(r_1, r_2, r_{12})$ near the singulartriple coalescence point. The approximate functions are compared to the locally correct ones obtained earlier by the Correlation Function Hyperspherical Harmonic (CFHH) method for helium atom, light heliumlike ions and for the negative ion …
We calculated ab initio the three-fold differential cross section of a double single-photon Helium photoionization at equal energy sharing, and obtained from one the Gaussian width parameter, describing the angular interelectron correlations, for the total electrons energies range E from 0.1 eV to 100 eV. The results are in excellent agreement with experimental data but indicate that the Wannier threshold law for angular distribition is not correct at energies attainable in modern experiments. It is shown that the Gaussian width parameter dependence on energy is much better described by the mo…
We outline a non-perturbative procedure for calculating the total photoionization cross-section of two-electron atomic systems. The procedure is based on the Floquet-Fourie representation of the solution of the time-dependent Schrodinger equation. The Floquet-Fourie ansatz produces a set of equations which is recast into a generalized eigenvalue problem by means of the complex rotation procedure. With the use of the Hylleraas-type basis functions, the total photoionization cross-sections are obtained within the accuracy of a fraction of a percent. The total photoionization cross-sections for n…
The hyperspherical harmonics (HH) provide a complete basis for the expansion of atomic wave functions, but even for two particles the number of harmonics for a given order is not trivial and, as the number of electrons increases, this degeneracy becomes absolutely prohibitive. We modify the method by selecting a subset of the basis that, we feel, will yield the physically most important part of the wave function, and test the idea on simple systems. In a previous work (with M. Haftel) of the singlet ground and first excited states of the helium atom we found that the error in the binding energ…
Low-energy positron scattering from metastable helium
Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences（中国科学院精密测量科学与技术创新研究院）；University of Chinese Academy of Sciences（中国科学院大学）
It is demonstrated, how the theoretical analysis preceding the numerical calculations helps to calculate the energy of the ground state of helium atom, and enables to avoid qualitative errors in the calculations of the characteristics of the double photoionization.
Double photoionization by a single photon is often discussed in terms of two contributing mechanisms, {\it knock-out} (two-step-one) and {\it shake-off} with the latter being a pure quantum effect. It is shown that a quasi-classical description of knock-out and a simple quantum calculation of shake-off provides a clear separation of the mechanisms and facilitates their calculation considerably. The relevance of each mechanism at different photon energies is quantified for helium. Photoionization ratios, integral and singly differential cross sections obtained by us are in excellent agreement w…
Partial autoionization rates of doubly excited one-dimensional helium in the collinear Zee and eZe configuration are obtained by means of the complex rotation method. The approach presented here relies on a projection of back-rotated resonance wave functions onto singly ionized $\textrm{He}^{+}$ channel wave functions and the computation of the corresponding particle fluxes. In spite of the long-range nature of the Coulomb potential between the electrons and the nucleus, an asymptotic region where the fluxes are stationary is clearly observed. Low-lying doubly excited states are found to decay…
We give a detailed account of an $\it{ab}$ $\it{initio}$ spectral approach for the calculation of energy spectra of two active electron atoms in a system of hyperspherical coordinates. In this system of coordinates, the Hamiltonian has the same structure as the one of atomic hydrogen with the Coulomb potential expressed in terms of a hyperradius and the nuclear charge replaced by an angle dependent effective charge. The simplest spectral approach consists in expanding the hyperangular wave function in a basis of hyperspherical harmonics. This expansion however, is known to be very slowly conve…
We introduce the time-dependent restricted active space Configuration Interaction method to solve the time-dependent Schrödinger equation for many-electron atoms, and particularly apply it to the treatment of photoionization processes in atoms. The method is presented in a very general formulation and incorporates a wide range of commonly used approximation schemes, like the single-active electron approximation, time-dependent Configuration Interaction with single-excitations, or the time-dependent R-matrix method. We proof the applicability of the method by calculating the photoionization cro…
Collinear configurations of the helium-like atomic systems, relevant, e.g., for the quasifree mechanism of the double photoionization of helium, are studied, parameterized by the single scalar parameter $-1\leq λ\leq1$ ("collinear parameter") where $λ=0$ corresponds to the electron-nucleus ($\textbf{e-n}$) coalescence and $λ=1$ corresponds to the electron-electron ($\textbf{e-e}$) coalescence. In general, $λ>0$ corresponds to the \textbf{n-e-e} configuration, and $λ<0$ to the \textbf{e-n-e} configuration. Simple mathematical representations of the expectation values of the Dirac delta function…
A powerful approach to solve the Coulombic quantum three-body problem is proposed. The approach is exponentially convergent and more efficient than the Hyperspherical Coordinate(HC) method and the Correlation Function Hyperspherical Harmonic(CFHH) method. This approach is numerically competitive with the variational methods, such as that using the Hylleraas-type basis functions. Numerical comparisons are made to demonstrate them, by calculating the non-relativistic and infinite-nuclear-mass limit of the ground state energy of the helium atom. The exponentially convergency of this approach is d…
A review of some recently developed methods of calculating multiple differential cross-sections of photoionization and electron impactionization of atoms and molecules having two active electrons is presented. The methods imply original approaches to calculating three-particle Coulomb wave functions. The external complex scaling method and the formalism of the Schroedinger equation with a source in the right-hand side are considered. Efficiency of the time-dependent approaches to the scattering problem, such as the paraxial approximation and the time-dependent scaling, is demonstrated. An orig…
The renewed Green's function approach to calculating the angular Fock coefficients, $ψ_{k,p}(α,θ)$ is presented. The final formulas are simplified and specified to be applicable for analytical as well as numerical calculations. The Green's function formulas with the hyperspherical angles $θ=0,π$ (arbitrary $α$) or $α=0,π$ (arbitrary $θ$) are indicated as corresponding to the angular Fock coefficients possessing physical meaning. The most interesting case of $θ=0$ corresponding to a collinear arrangement of the particles is studied in detail. It is emphasized that this case represents the gener…
The calculation of partial two-photon ionization cross sections in the above-threshold energy region is discussed in the framework of exterior complex scaling. It is shown that with a minor modification of the usual procedure, which is based on the calculation of the outgoing partial waves of the second-order scattering wave function, reliable partial ionization amplitudes can be obtained. The modified procedure relies on a few-term least-squares fit of radial functions pertaining to different partial waves. To test the procedure, partial and total two-photon ionization cross sections of the h…
Next investigations in our program of transition from the He atom to the complex atoms description have been presented. The method of interacting configurations in the complex number representation is under consideration. The spectroscopic characteristics of the Mg and Ca atoms in the problem of the electron-impact ionization of these atoms are investigated. The energies and the widths of the lowest autoionizing states of Mg and Ca atoms are calculated. Few results in the photoionization problem on the autoionizing states above the n=2 threshold of helium-like Be ion are presented.
