“…In this case, our cross sections tend to be larger than the older experimental data, but generally very close to the most recent measurement by Banna et al [68]. The exception is the photoionization into the ground state of H 2 O + , for which the experimental results of Brion and Carnovale [69] are noticeably bigger than our results below 20 eV. Note, however, that in this energy range our results are strongly influenced by the smoothing procedure (discussed below).…”
Section: A Characteristics Of the Calculationsupporting
confidence: 89%
“…Tan et al [72] Brion and Carnovale [69] Banna et al [68] Truesdale et al [73] Novikovskiy et al [60] Modak and Antony [61] Engin et al [70] FIG. 5.…”
Section: A Characteristics Of the Calculationmentioning
confidence: 99%
“…The transitions to the three lowest states of H 2 O + are shown. Experimental data are from Tan et al [72], Truesdale et al [73], Brion and Carnovale [69], and Banna et al [68] and calculations are from Engin et al [70], Novikovskiy et al [60], and Modak and Antony [61]. The UKRmol+ results for energies smaller than 20 eV are heavily influenced by smoothing.…”
Section: A Characteristics Of the Calculationmentioning
The ab initio R-matrix with time method has recently been extended to allow simulation of fully nonperturbative multielectron processes in molecules driven by ultrashort arbitrarily polarized strong laser fields. Here we demonstrate the accuracy and capabilities of the current implementation of the method for two targets: We study single-photon and multiphoton ionization of H 2 and one-photon and strong-field ionization of H 2 O and compare the results to available experimental and theoretical data as well as our own time-independent R-matrix calculations. We obtain a highly accurate description of total and state-to-state single-photon ionization of H 2 O and, using a simplified coupled-channel model, we show that state coupling is essential to obtain qualitatively correct results and that its importance as a function of laser intensity changes. We find that electron correlation plays a more important role at low intensities (up to approximately 50 TW/cm 2).
“…In this case, our cross sections tend to be larger than the older experimental data, but generally very close to the most recent measurement by Banna et al [68]. The exception is the photoionization into the ground state of H 2 O + , for which the experimental results of Brion and Carnovale [69] are noticeably bigger than our results below 20 eV. Note, however, that in this energy range our results are strongly influenced by the smoothing procedure (discussed below).…”
Section: A Characteristics Of the Calculationsupporting
confidence: 89%
“…Tan et al [72] Brion and Carnovale [69] Banna et al [68] Truesdale et al [73] Novikovskiy et al [60] Modak and Antony [61] Engin et al [70] FIG. 5.…”
Section: A Characteristics Of the Calculationmentioning
confidence: 99%
“…The transitions to the three lowest states of H 2 O + are shown. Experimental data are from Tan et al [72], Truesdale et al [73], Brion and Carnovale [69], and Banna et al [68] and calculations are from Engin et al [70], Novikovskiy et al [60], and Modak and Antony [61]. The UKRmol+ results for energies smaller than 20 eV are heavily influenced by smoothing.…”
Section: A Characteristics Of the Calculationmentioning
The ab initio R-matrix with time method has recently been extended to allow simulation of fully nonperturbative multielectron processes in molecules driven by ultrashort arbitrarily polarized strong laser fields. Here we demonstrate the accuracy and capabilities of the current implementation of the method for two targets: We study single-photon and multiphoton ionization of H 2 and one-photon and strong-field ionization of H 2 O and compare the results to available experimental and theoretical data as well as our own time-independent R-matrix calculations. We obtain a highly accurate description of total and state-to-state single-photon ionization of H 2 O and, using a simplified coupled-channel model, we show that state coupling is essential to obtain qualitatively correct results and that its importance as a function of laser intensity changes. We find that electron correlation plays a more important role at low intensities (up to approximately 50 TW/cm 2).
“…However, they are significantly lower than the measured values of Brion and Carnovale 27 below about 19 eV, where structure due to autoionizing states leading to higher thresholds can be expected. 27 At the present level our formulation provides only the direct contribution to the photo ionization cross sections and does not include any effects arising from autoionization. Also shown in Fig.…”
The iterative Schwinger variational method is used to obtain cross sections and photoelectron asymmetry parameters for photoionization of the three outermost valence orbitals (Ib l , 3a l , and Ib 2) of H 2 0 for photon energies from near threshold to 50 eV. A comparison of these calculated results with available experimental data is encouraging.
“… References: 1, Brion and Carnovale [1985]; 2, Chan et al [1993]; 3, Datz et al [2000]; 4, DeMore et al [1997]; 5, Dutuit et al [1985]; 6, Gougousi et al [1997]; 7, Gutcheck and Zipf [1973]; 8, Haddad and Samson [1986]; 9, Hippler et al [1990]; 10, Huber and Herzberg [1979]; 11, Katayama et al [1973]; 12, Kronebush and Berkowitz [1976]; 13, Lawrence [1972a]; 14, Lawrence [1972b]; 15, Masuoka [1994]; 16, Masuoka and Nakamura [1993]; 17, Masuoka and Samson [1981]; 18, Miller et al [1984]; 19, see references of Moses et al [2000]; 20, Mul et al [1983]; 21, Okabe [1978]; 22, Shaw et al [1995]; 23, Sheehan and St.‐Maurice [2004]; 24, Skrzypkowski et al [1998]; 25, Tan et al [1978]; 26, Van Brunt et al [1972]; 27, Vejby‐Christensen et al [1997]; 28, Weller and Biondi [1967]; 29, Wight et al [1976]; 30, see references of Yung and DeMore [1999]; 31, Le Teuff et al [2000]. …”
[1] During the Galileo flybys of Callisto in 1999, a CO 2 atmosphere and an ionosphere were detected. Using the Caltech/Jet Propulsion Laboratory one-dimensional KINETICS model, we have successfully simulated the observed electron density within a factor of 2, while satisfying the observational constraints on carbon and oxygen atoms. We conclude that photoionization of CO 2 alone is insufficient to produce the observed electron density. An atmosphere 20-100 times denser than the CO 2 atmosphere must be introduced, as suggested by Kliore et al. (2002). We show that an O 2 -rich atmosphere is highly probable. However, the atomic oxygen produced from O 2 photodissociation is 2 orders of magnitude greater than the upper limit given by Strobel et al. (2002). The introduction of reactive hydrogen chemistry assuming a surface abundance of H 2 O of $2 Â 10 9 cm À3 (4 Â 10 À8 mbar) is required to reduce the excess atomic O abundance. The calculated atomic O column density is >5 Â 10 12 cm À2 , which is about the observed upper limit, suggesting we should be able to detect O in the atmosphere of Callisto.
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