smyth_1998

E. S. Smyth, J. S. Parker and K. T. Taylor, “Numerical integration of the time-dependent Schrödinger equation for laser-driven helium”, Comput. Phys. Commun. 114, 1 (1998)

Source record · Catalogue · Review register

DOI: 10.1016/s0010-4655(98)00083-6

Source kind: theory

Recorded technique: The numerical method of the HELIUM code (used by parker_2007 and parker_2009): the full-dimensional two-electron helium-laser TDSE on a finite-difference radial lattice with a coupled partial-wave expansion, velocity gauge, an Arnoldi (Krylov) propagator of order 12-18, a Gaussian absorbing mask, and a five-point Laplacian with a boundary correction; parallel performance on Cray T3D and T3E (pp. 1-13).

Materials in structured entries: None recorded.

Dataset quantities: None recorded.

Contents: 0 datasets; 0 formulas.

Curation notes

Pages are pdf pages (1-14 = pp. 1-14). The library copy’s identity is VALIDATED_WITH_WARNINGS: the PDF prints only the PII S0010-4655(98)00083-6, and the DOI was found by bibliographic search.

WHY NOTHING IS TAKEN. A methods paper: no ionisation rate or yield is given. The only physics output is Fig. 2 (p. 7), He+ harmonic spectra at omega = 0.235 au and 64 x 10^14 W/cm^2. The tables are numerical tests: Table 1 (p. 9), the He+ ground-state energy against the grid spacing (0.5-0.06 bohr) with and without the boundary correction C = -exp(2 Z delta r) (-2.00002 au at 0.06 bohr with it); Table 2 (p. 10), the He ground-state energy against the grid spacing and the number of terms of the 1/r12 expansion (at delta r = 0.3333 the N = 6 and N = 7 entries, -2.93457 and -2.93447, break the monotonic trend of every other column: a probable misprint, not used); Tables 3-5 (pp. 13-14), execution times. (The library’s table labels in paper.md are shifted: Table 1 is unlabelled, Table 3 labelled ‘Table 4’.)

TEXT VALUES (not taken): ‘The true value is -2.9037 a.u.’ for the He ground state (p. 8), ‘the established nonrelativistic limit of -2.9037 a.u.’ (p. 9, uncited), with the He+ ground state -2.00 au: an implied first ionisation energy of 0.9037 au, which parker_2007 uses as 0.903724 au; the lattice gives -2.93 au with the boundary correction and -2.51 au without (p. 8). l_max = 7 suffices up to about 1.6e15 W/cm^2 and l_max = 9 (385 partial waves) up to 3.2e15 W/cm^2 (pp. 2-3). On p. 2 the speed-up of the worked example is printed ‘10^6/6’ where the step ratio 0.1/10^-6 gives 10^5/6.

Recorded bibliographic identity status: VALIDATED_WITH_WARNINGS. This concerns identification of the source; it does not establish the scientific correctness of its contents.

Datasets

No datasets are recorded.

Formulas

No formulas are recorded.

Corrections

No dataset errata are recorded in this source record.

Formula corrections, where recorded, appear with their formulas above. Curation notes may also discuss corrections or unresolved interpretation. Consult the review register for the checks and decisions.