Ground state of Li and Be+^+ using explicitly correlated functions

We compare the explicitly correlated Hylleraas and exponential basis sets in the evaluations of ground state of Li and Be$^+$. Calculations with Hylleraas functions are numerically stable and can be performed with the large number of basis functions. Our results for ground state energies $-7.478 060 323 910 10(32)$, $-14.324 763 176 790 43(22)$ of Li and Be$^+$ correspondingly, are the most accurate to date. When small basis set is considered, explicitly correlated exponential functions are much more effective. With only 128 functions we obtained about $10^{-9}$ relative accuracy, but the severe numerical instabilities make this basis costly in the evaluation.Comment: 15 page

Analytic Evaluation of Four-Particle Integrals with Complex Parameters

The method for analytic evaluation of four-particle integrals, proposed by Fromm and Hill, is generalized to include complex exponential parameters. An original procedure of numerical branch tracking for multiple valued functions is developed. It allows high precision variational solution of the Coulomb four-body problem in a basis of exponential-trigonometric functions of interparticle separations. Numerical results demonstrate high efficiency and versatility of the new method.Comment: 13 pages, 4 figure

Effect of nuclear motion on the critical nuclear charge for two-electron atoms

A variational method for calculating the critical nuclear charge, Zc, required for the binding of a nucleus to two electrons is reported. The method is very effective and performs well compared to the traditional variational principle for calculating energy. The critical nuclear charge, which corresponds to the minimum charge required for the atomic system to have at least one bound state, has been calculated for helium-like systems both with infinite and finite nuclear masses. The value of $Z_C=$ 0.911 028 2(3) is in very good agreement with recent values in the literature for two-electron atoms with an infinite nuclear mass. When nuclear motion is considered, the value for Zc varies from 0.911 030 3(2) for that with a nuclear mass of Ne (the largest heliogenic system considered) to 0.921 802 4(4) for a system with the nuclear mass of a positron. In all cases the energy varies smoothly as $Z \rightarrow 0$. It is found that for the finite nuclear mass case, in agreement with previous work for the fixed nucleus mass system, the outer electron remains localised near the nucleus at Z = Zc. Additionally, the electron probability distribution is calculated to determine the behaviour of the electrons at low Z

Vibrational spectroscopy of H2+: precise evaluation of the Zeeman effect

We present an accurate computation of the g-factors of the hyperfine states of the hydrogen molecular ion H2+. The results are in good agreement with previous experiments, and can be tested further by rf spectroscopy. Their implication for high-precision two-photon vibrational spectroscopy of H2+ is also discussed. It is found that the most intense hyperfine components of two-photon lines benefit from a very small Zeeman splitting

Excitonic Dynamical Franz-Keldysh Effect

The Dynamical Franz-Keldysh Effect is exposed by exploring near-bandgap absorption in the presence of intense THz electric fields. It bridges the gap between the DC Franz- Keldysh effect and multi-photon absorption and competes with the THz AC Stark Effect in shifting the energy of the excitonic resonance. A theoretical model which includes the strong THz field non-perturbatively via a non-equilibrium Green Functions technique is able to describe the Dynamical Franz-Keldysh Effect in the presence of excitonic absorption.Comment: 4 pages in revtex with 5 figures included using epsf. Submitted to Physical Review Letter

Quasienergy Spectroscopy of Excitons

We theoretically study nonlinear optics of excitons under intense THz irradiation. In particular, the linear near infrared absorption and resonantly enhanced nonlinear sideband generation are described. We predict a rich structure in the spectra which can be interpreted in terms of the quasienergy spectrum of the exciton, via a remarkably transparent expression for the susceptibility, and show that the effects of strongly avoided quasienergy crossings manifest themselves directly, both in the absorption and transmitted sidebands.Comment: 4 pages RevTex, 3 eps figs included, as publishe

Linear optical absorption spectra of mesoscopic structures in intense THz fields: free particle properties

We theoretically study the effect of THz radiation on the linear optical absorption spectra of semiconductor structures. A general theoretical framework, based on non-equilibrium Green functions, is formulated, and applied to the calculation of linear optical absorption spectrum for several non-equilibrium mesoscopic structures. We show that a blue-shift occurs and sidebands appear in bulk-like structures, i.e., the dynamical Franz-Keldysh effect [A.-P. Jauho and K. Johnsen, Phys. Rev. Lett. 76, 4576 (1996)]. An analytic calculation leads to the prediction that in the case of superlattices distinct stable steps appear in the absorption spectrum when conditions for dynamical localization are met.Comment: 13 Pages, RevTex using epsf to include 8 ps figures. Submitted to Phys. Rev. B (3 April 97

Localization-enhanced biexciton binding in semiconductors

The influence of excitonic localization on the binding energy of biexcitons is investigated for quasi-three-dimensional and quasi-two-dimensional AlxGa1−xAs structures. An increase of the biexciton binding energy is observed for localization energies comparable to or larger than the free biexciton binding energy. A simple analytical model for localization in the weak confinement regime ascribes the increase to a quenching of the additional kinetic energy of the exciton-exciton motion in the biexciton