Dynamic polarizability and hyperpolarizability of H^-for frequencies below as well as above the ionization threshold

Abstract

Linear and non-linear frequency-dependent polarizabilities are defined as time averages and computed efficiently from a recently developed Floquet theorem based many-electron, many-photon theory. The theory is formulated and implemented in terms of suitably chosen state-specific function spaces and yields the induced total energy shift to all orders for frequencies o below, as well as above the ionization threshold. Application is made to H-, for which the reliable computation of even the static polarizability, (Y, is cumbersome. We have obtained (~(201.8 au), ( ~( o ) , ~( 0 . 7 6 ~ 10'au) and y ( w ) , for w = 0.0-0.260au. The forms of . ( U ) and y ( o ) are the same as those of the recently computed Li-.t As is well known, these quantities are usable in a number of areas of physics and chemistry. For example, see Fowler and Madden (1984a, b) for the use of static polarizabilities and hyperpolarizabilities of negative ions in the analysis of optical properties of crystals. $ These calculations dealt only with frequencies below the ionization threshold.

Polarizabilities of confined two-electron systems: the 2-electron quantum dot, the hydrogen anion, the helium atom and the lithium cation

“…This value represents one of the most accurate values of the static dipole polarizability of the H À anion achieved so far. The published theoretical and experimental data nearest to our value are 201.8 [55], 206.2 [52,53] and 215.53 au [54]. This last value follows from the precise analysis of H À in both laser and strong static electric fields by Frolov et al [54].…”

Multiphoton detachment of a negative ion by an elliptically polarized, monochromatic laser field

“…The hyperpolarizability γ 4 (ω; l) is an important atomic parameter and involves a complicated combination of fourth-order PT matrix elements (see, e.g., [141]). For H − , γ 4 (ω; l) (for the case of linear polarization) was calculated, taking into account electron correlations, perturbatively (in F) in [189] (in the static limit ω = 0) as well as nonperturbatively (in F) [108,190]. It is somewhat surprising that the simple δ-model result in (B.16)-(B.18) is in close agreement with results of these sophisticated calculations (see comparisons in [191], where the δ-model result for the dynamical hyperpolarizability of H − in the presence of a strong static electric field is also presented).…”

State-specific theory and method for the computation of diatomic molecules: Application toHe22+Bacalis1, Komninos2, Nicolaides3 1992Phys. Rev. A24050View full textAdd to dashboardCite

“…(1) is adopted, where the diatomic orbitals of the multiconfigurational zeroth-order 4p are obtained numerically. The advantage of such a calculation over the conventional LCAO-based one has been documented for atoms [1 -4] and for diatomics (e.g., see the results of McCullough [24] and of Nicolaides, Mercouris, and Piangos [25] on the hyperpolarizabilities of FH and of H ). We argued that the expansion of the diatomic orbitals in partial waves has the advantage of treating not only diffuse ground states (e. g, negative ions [26)) but also Rydberg and doubly excited states with state-specific accuracy.…”