murray_2011

R. Murray, M. Spanner, S. Patchkovskii and M. Yu. Ivanov, “Tunnel Ionization of Molecules and Orbital Imaging”, Phys. Rev. Lett. 106, 173001 (2011)

Source record · Catalogue · Review register

DOI: 10.1103/physrevlett.106.173001

Source kind: theory

Recorded technique: Analytic weak-field tunnelling theory of the Dyson orbital with a momentum-space filter, generalising MO-ADK (the second-order corrections in the transverse momentum, Eqs. (9)-(12)), compared with a numerical TDSE for CO2 (quasistatic half-cycle field on a Cartesian grid, complex absorbing boundary); the Dyson orbital from CASSCF (GAMESS, modified aug-cc-pV5Z) (pp. 1-4).

Materials in structured entries: None recorded.

Dataset quantities: None recorded.

Contents: 0 datasets; 0 formulas.

Curation notes

Pages are pdf pages (1-4 = 173001-1 to -4). Identity checked against pdf p. 1. UNMAPPED_GLYPHS on pp. 1 and 3 (degree signs, Sigma, Pi, theta and phi symbols).

WHY NOTHING IS TAKEN. CO2 -> CO2+ (ground state of the cation) only, and the results are in figures: Fig. 1 (p. 2), a polar plot of the dimensionless alignment factor at 1.0 x 10^14 W/cm^2 against the low-field limit; Fig. 3 (p. 4), the ionisation against the alignment angle theta_L (0-90 deg) at 0.5, 0.75, 1.0 and 1.5 x 10^14 W/cm^2, numerical and analytic (the caption says (a) numerical, (b) analytic, but the published panels’ axes read ‘R(theta_L)’ on (a) and ‘Yield’ on (b): the labels contradict the caption). No table, no rate printed.

VALUES IN THE TEXT (p. 3; model parameters, not properties of CO2 to be curated here): the fitted asymptotic structure of the CO2 Dyson orbital for r0 = 6-8 au, ‘lambda = 2.5, n = 1, m = 1, c = 0, C_kappa = 0.66’ in the form F = cosh(lambda cos theta_M)(1 + c^2 cos^2 theta)(cos theta_M)^n (sin theta_M cos phi_M)^m (Eq. (13), after Radzig and Smirnov). This is a Murray-type structure factor, not a tunnelling_structure_coefficient per partial wave (the vocabulary’s MO-ADK, ADK or WFAT C_l): notes only. The TDSE uses omega = 0.0285 au (‘half-cycle pulse of 1600 nm’); the ionisation peaks near 30 deg in MO-ADK against ‘about 45 deg’ measured by Pavicic et al. 2007 [9] (p. 1); the momentum-space maxima lie ‘around 50-60 deg’ (p. 4). No ionisation potential is printed.

FORMULA (for review; not an entry): Eq. (6), p. 2: Gamma = Gamma_A,s R(theta_L), Gamma_A,s = (pi/tau_T) C_kappa^2 exp(-2 kappa^3/(3F)) (2 kappa^3/F)^(2Q/kappa), kappa = sqrt(2 I_p), tau_T ~ kappa/F, Q the charge of the Coulomb tail; Eq. (11): R ~ F0^2 + F1^2/(2 tau_T kappa^2), the MO-ADK limit.

Recorded bibliographic identity status: VALIDATED. 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.