Partially conserved axial-vector current inS-matrix theory

Mandelstam�s argument that PCAC follows from assigning Lorentz quantum numberM=1 to the massless pion is examined in the context of multiparticle dual resonance model. We construct a factorisable dual model for pions which is formulated operatorially on the harmonic oscillator Fock space along the lines of Neveu-Schwarz model. The model has bothm ? andm ? as arbitrary parameters unconstrained by the duality requirement. Adler self-consistency condition is satisfied if and only if the conditionm?2?m?2=1/2 is imposed, in which case the model reduces to the chiral dual pion model of Neveu and Thorn, and Schwarz. The Lorentz quantum number of the pion in the dual model is shown to beM=0.

Resonant two-photon cross-section calculations for transitions to 4f5d state in Pr3+: YAG using density matrix theory

The density matrix resonant two-photon absorption (TPA) theory is applied to a rare-earth ion-doped laser crystal. TPA cross sections for transitions from the ground state to the first 4f5d state in Pr3+:YAG are calculated. The results indicate the density matrix TPA theory is attractive in studying TPA in laser crystals. (C) 2000 Elsevier Science B.V. All rights reserved.

Calculations of cross sections of resonant two-photon transitions to the second excited 4f5d state in Pr3+: Y3Al5O12 using density matrix theory

The density matrix resonant two-photon absorption (TPA) theory applicable to laser crystals doped with rare earth ions is described. Using this theory, resonant TPA cross sections for transitions from the ground state to the second excited state of the 4f5d configuration in cm(4)s Pr3+:Y3Al5O12 are calculated. The peak value of TPA cross section calculated is 2.75 x 10(-50) cm(4)s which is very close to the previous experimental value 4 x 10(-50) cm(4) s. The good agreement of calculated data with measured values demonstrates that the density matrix resonant TPA theory can predict resonant TPA intensity much better than the standard second-order perturbation TPA theory.

Tensor density matrix theory for determining population and alignment of symmetric top molecule using rotationally unresolved fluorescence

General expressions used for transforming raw laser-induced fluorescence (LIF) intensity into the population and alignment parameters of a symmetric top molecule are derived by employing the density matrix approach. The molecular population and alignment are described by molecular state multipoles. The results are presented for a general excitation-detection geometry and then applied to some special geometries. In general cases, the LIF intensity is a complex function of the initial molecular state multipoles, the dynamic factors and the excitation-detection geometrical factors. It contains a population and 14 alignment multipoles. How to extract all initial state multipoles from the rotationally unresolved emission LIF intensity is discussed in detail.

R-matrix theory of electron molecule scattering

This paper presents an overview of R-matrix theory of electron scattering by diatomic and polyatomic molecules. The paper commences with a detailed discussion of the fixed-nuclei approximation which in recent years has been used as the basis of the most accurate ab initio calculations. This discussion includes an overview of the computer codes which enable electron collisions with both diatomic and polyatomic molecules to be calculated. Nuclear motion including rotational and vibrational excitation and dissociation is then discussed. In non-resonant energy regions, or when the scattered electron energy is not close to thresholds, the adiabatic-nuclei approximation can be successfully used. However, when these conditions are not applicable, non-adiabatic R-matrix theory must be used and a detailed discussion of this theory is given. Finally, recent applications of the theory to treat electron scattering by polyatomic molecules are reviewed and a detailed comparison of R-matrix calculations and experimental measurements for water is presented.

Time-dependent R -matrix theory for ultrafast atomic processes

We describe an ab initio nonperturbative time-dependent R-matrix theory for ultrafast atomic processes. This theory enables investigations of the interaction of few-femtosecond and -attosecond pulse lasers with complex multielectron atoms and atomic ions. A derivation and analysis of the basic equations are given, which propagate the atomic wave function in the presence of the laser field forward in time in the internal and external R-matrix regions. To verify the accuracy of the approach, we investigate two-photon ionization of Ne irradiated by an intense laser pulse and compare current results with those obtained using the R-matrix Floquet method and an alternative time-dependent method. We also verify the capability of the current approach by applying it to the study of two-dimensional momentum distributions of electrons ejected from Ne due to irradiation by a sequence of 2 as light pulses in the presence of a 780 nm laser field.

Ultra-fast spin dynamics in the 2s2p^2 configuration of C^+ studied by time-dependent R-matrix theory

We employ time-dependent R-matrix theory to study ultra-fast dynamics in the doublet 2s2p(2) configuration of C+ for a total magnetic quantum number M = 1. In contrast to the dynamics observed for M = 0, ultra-fast dynamics for M = 1 is governed by spin dynamics in which the 2s electron acts as a flag rather than a spectator electron. Under the assumption that m(S) = 1/2, m(2s) = 1/2 allows spin dynamics involving the two 2p electrons, whereas m(2s) = -1/2 prevents spin dynamics of the two 2p electrons. For a pump-probe pulse scheme with (h) over bar omega(pump) = 10.9 eV and (h) over bar omega(probe) = 16.3 eV and both pulses six cycles long, little sign of spin dynamics is observed in the total ionization probability. Signs of spin dynamics can be observed, however, in the ejected-electron momentum distributions. We demonstrate that the ejected-electron momentum distributions can be used for unaligned targets to separate the contributions of initial M = 0 and M = 1 levels. This would, in principle, allow unaligned target ions to be used to obtain information on the different dynamics in the 2s2p(2) configuration for the M = 0 and M = 1 levels from a single experime

B-spline methods in R-matrix theory for scattering in two-electron systems

The use of B-spline basis sets in R-matrix theory for scattering processes has been investigated. In the present approach a B-spline basis is used for the description of the inner region, which is matched to the physical outgoing wavefunctions by the R-matrix. Using B-splines, continuum basis functions can be determined easily, while pseudostates can be included naturally. The accuracy for low-energy scattering processes is demonstrated by calculating inelastic scattering cross sections for e colliding on H. Very good agreement with other calculations has been obtained. Further extensions of the codes to quasi two-electron systems and general atoms are discussed as well as the application to (multi) photoionization.

Atomic harmonic generation in time-dependent R-matrix theory

We have developed the capability to determine accurate harmonic spectra for multielectron atoms within time-dependent R-matrix (TDRM) theory. Harmonic spectra can be calculated using the expectation value of the dipole length, velocity, or acceleration operator. We assess the calculation of the harmonic spectrum from He irradiated by 390-nm laser light with intensities up to 4 x 10(14) W cm(-2) using each form, including the influence of the multielectron basis used in the TDRM code. The spectra are consistent between the different forms, although the dipole acceleration calculation breaks down at lower harmonics. The results obtained from TDRM theory are compared with results from the HELIUM code, finding good quantitative agreement between the methods. We find that bases which include pseudostates give the best comparison with the HELIUM code, but models comprising only physical orbitals also produce accurate results.

Time-dependent R-matrix theory applied to two-photon double ionization of He

We introduce a time-dependent R-matrix theory generalized to describe double-ionization processes. The method is used to investigate two-photon double ionization of He by intense XUV laser radiation. We combine a detailed B-spline-based wave-function description in an extended inner region with a single-electron outer region containing channels representing both single ionization and double ionization. A comparison of wave-function densities for different box sizes demonstrates that the flow between the two regions is described with excellent accuracy. The obtained two-photon double-ionization cross sections are in excellent agreement with other cross sections available. Compared to calculations fully contained within a finite inner region, the present calculations can be propagated over the time it takes the slowest electron to reach the boundary.

Harmonic generation by noble-gas atoms in the near-IR regime using ab initio time-dependent R-matrix theory

We demonstrate the capability of ab initio time-dependent R-matrix theory to obtain accurate harmonic generation spectra of noble-gas atoms at near-IR wavelengths between 1200 and 1800 nm and peak intensities up to 1.8 × 10^(14) W/cm^(2). To accommodate the excursion length of the ejected electron, we use an angular-momentum expansion up to Lmax=279. The harmonic spectra show evidence of atomic structure through the presence of a Cooper minimum in harmonic generation for Kr, and of multielectron interaction through the giant resonance for Xe. The theoretical spectra agree well with those obtained experimentally.

Double ionization in R-matrix theory using a two-electron outer region

We have developed a two-electron outer region for use within R-matrix theory to describe double ionisation processes. The capability of this method is demonstrated for single-photon double ionisation of He in the photon energy region between 80 eV to 180 eV. The cross sections are in agreement with established data. The extended RMT method also provides information on higher-order processes, as demonstrated by the identification of signatures for sequential double ionisation processes involving an intermediate He⁺ state with n=2.