Investigation of photoionization and photodissociation of an oxygen molecule by the method of coupled differential equations

Demekhin, Ph. V.; Omel’yanenko, D. V.; Lagutin, B. M.; Sukhorukov, V. L.; Werner, Lukas; Ehresmann, A.; Schartner, K.‐H.; Schmoranzer, H.

doi:10.1134/s0030400x07030022

Cited by 47 publications

(41 citation statements)

References 26 publications

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“…The calculations from Demekhin et al [32], considered only parallel polarization, and thus there were only two Rydberg series, (2σ u ) −1 (nsσ g ) and (2σ u ) −1 ( ndσ g ), converging to the c 4 Σ − u limit. However, using perpendicular polarization, the MCT-DHF computed σ ⊥ exhibits a third Rydberg series converging to the same limit, namely, the series we have identified as (2σ u ) −1 ( ndπ g ) here.…”

Section: Appendix B: Mctdhf Methodsmentioning

confidence: 99%

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Probing autoionizing states of molecular oxygen with XUV transient absorption: Electronic-symmetry-dependent line shapes and laser-induced modifications

Liao

Haxton

et al. 2017

Phys. Rev. A

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We used extreme ultraviolet (XUV) transient absorption spectroscopy to study the autoionizing Rydberg states of oxygen in electronically and vibrationally resolved fashion. XUV pulse initiates molecular polarization and near infrared (NIR) pulse perturbs its evolution. Transient absorption spectra show positive optical density (OD) change in the case of nsσ g and ndπ g autoionizing states of oxygen and negative OD change for ndσ g states. Multiconfiguration time-dependent HartreeFock (MCTDHF) calculations are used to simulate the transient absorption and the resulting spectra and temporal evolution agree with experimental observations. We model the effect of nearinfrared (NIR) perturbation on molecular polarization and find that the laser induced phase shift model agrees with the experimental and MCTDHF results, while the laser induced attenuation model does not. We relate the electronic state symmetry dependent sign of the OD change to the Fano parameters of the static absorption line shapes.

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Section: Appendix B: Mctdhf Methodsmentioning

confidence: 99%

“…1(b) shows the theoretical cross section computed by Demekhin et al [32] using a single center expansion method that includes static and non-local exchange interactions without coupling between ionization channels leading to different ion states.…”

Section: Introductionmentioning

confidence: 99%

Probing autoionizing states of molecular oxygen with XUV transient absorption: Electronic-symmetry-dependent line shapes and laser-induced modifications

Liao

Haxton

et al. 2017

Phys. Rev. A

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“…In spite of quite a number of theoretical studies of MPI of the H 2 molecule mentioned above, the angular-resolved MPI of molecules is still not sufficiently scrutinized. Recently [15,16], we have developed a powerful computational tool for ionization and electronic excitation studies of molecules. It is known as the single center method [17,18], and allows for an accurate theoretical description of excited discrete and partial photoelectron wave continuous functions of molecules.…”

Section: Introductionmentioning

confidence: 99%

Theoretical study of angular-resolved two-photon ionization of H2

2012

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Cross sections and angular distribution parameters of electrons ejected via two-photon ionization of the hydrogen molecule by linearly and circularly polarized light are computed in the exciting-photon energy range of 8-14 eV, which covers the first four optical resonant states of the molecule. Photoelectron partial waves in the continuous spectrum are obtained within the single center method in precise numerical potential of the molecular ion field. The correlation function technique is used to calculate the two-photon transition matrix element. The presently computed angular-resolved spectra are in good agreement with the theoretical results available for the photon energy of 8.854 eV and can be considered as reliable predictions in the respective energy range.

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“…2(b), we observe that the Rydberg states 5sσ g , 4dσ g , 6sσ g and 5dσ g are predominantly populated by the 15th harmonic. Based on the similarity between the energies and effective quantum numbers, it is convenient to classify these Rydberg states [29] into two groups i.e. (5s, 4d)σ g and (6s, 5d)σ g .…”

Section: Internuclear Distancementioning

confidence: 99%

Ultrafast Dynamics of Neutral Superexcited Oxygen: A Direct Measurement of the Competition between Autoionization and Predissociation

2012

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Using ultrafast extreme ultraviolet pulses, we performed a direct measurement of the relaxation dynamics of neutral superexcited states corresponding to the nlσg(c 4 Σ − u ) Rydberg series of O2. An XUV attosecond pulse train was used to create a temporally localized Rydberg wavepacket and the ensuing electronic and nuclear dynamics were probed using a time-delayed femtosecond nearinfrared pulse. We investigated the competing predissociation and autoionization mechanisms in superexcited molecules and found that autoionization is dominant for the low n Rydberg states. We measured an autoionization lifetime of 92±6 fs and 180±10 fs for (5s, 4d)σg and (6s, 5d)σg Rydberg state groups respectively. We also determine that the disputed neutral dissociation lifetime for the ν = 0 vibrational level of the Rydberg series is 1100 ± 100 fs.

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Investigation of photoionization and photodissociation of an oxygen molecule by the method of coupled differential equations

Cited by 47 publications

References 26 publications

Probing autoionizing states of molecular oxygen with XUV transient absorption: Electronic-symmetry-dependent line shapes and laser-induced modifications

Probing autoionizing states of molecular oxygen with XUV transient absorption: Electronic-symmetry-dependent line shapes and laser-induced modifications

Theoretical study of angular-resolved two-photon ionization of H2

Ultrafast Dynamics of Neutral Superexcited Oxygen: A Direct Measurement of the Competition between Autoionization and Predissociation

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