PHYSICAL REVIEW A 85, 049901(E) (2012)
Erratum: High-harmonic spectroscopy of molecular isomers [Phys. Rev. A 84, 051403(R) (2011)]
M. C. H. Wong, J.-P. Brichta, M. Spanner, S. Patchkovskii, and V. R. Bhardwaj (Received 12 March 2012; published 5 April 2012)
DOI:10.1103/PhysRevA.85.049901 PACS number(s): 33.80.Rv, 42.65.Ky, 33.20.Lg, 99.10.Cd
In extending the single-channel ionization calculations of C2H2Cl2presented in our paper to the multichannel case, an error was found in the computational results presented in our paper. The permanent electronic dipole of the cis-isomer was included in the ionization calculation with a sign error. The results for the trans-isomer were unaffected by this error.
We have recalculated the Hartree-Fock (HF) highest occupied molecular orbital (HOMO) cis-isomer results, as was presented in our paper, with the correct permanent dipole. The corrected half-cycle ionization yields of the cis-isomer are no longer an order-of-magnitude larger than the corresponding trans-isomer ionization yields. The corrected half-cycle ionization yields for the cis-isomer are 1.8% at 800 nm and 1.5× 1014W/cm2, 1.0% at 1300 nm and 1014 W/cm2, and 1.3% at 1500 nm and 1014 W/cm2. These corrected cis-isomer ionization yields are about a factor of 2 larger than the corresponding trans-isomer ionization yields. Though this does not change the physical interpretation of our results, the statement made in our paper that the differences in high-order harmonic generation (HHG) spectra directly reflect the differences in the ionization yields is no longer true.
The figure [Fig. 3(a) in the original paper] plots the corrected cis-isomer orientation dependence of strong-field ionization for the 800 nm case, at the HF level of electronic structure used in our paper. The angle in the orientation-dependent ionization yields is the angle between the fixed molecular axis and the force exerted by the laser field on the electron. The corrected HF cis-isomer orientation dependence of half-cycle strong-field ionization is qualitatively similar to the corresponding result presented in our paper, with the main difference being that it is now a little bit wider in the plane of the molecule. Please also note the corrected value for the intensity in the caption to Fig.3.
FIG. 3. (Color online) Left: Dyson orbitals of the cis HOMO ionization channel. Right: Orientation dependence of the ionization probability. Intensity distributions are calculated at an intensity of 1.5× 1014W/cm2using 800 nm light.
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