Photoionization of endohedral atoms using<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>R</mml:mi></mml:math>-matrix methods: Application to Xe@C<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>60</mml:mn></mml:msub></mml:math>

Gorczyca, T. W.; Hasoğlu, M. F.; Manson, Steven T.

doi:10.1103/physreva.86.033204

Cited by 39 publications

(59 citation statements)

References 48 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…These calculations were performed with a version of the Belfast R-matrix code [12]. These same codes were also used for the photoionization of free Ca, giving quite good agreement with experiment: the most accurate theoretical results on the near-threshold photoionization of free Ca reported to date.…”

Section: Discussionmentioning

confidence: 96%

“…However, we used a somewhat more comprehensive treatment by including more states in the configuration-interaction (CI) expansions and more correlation orbitals in the basis set in order to study the response of the Ca atom. The R-matrix code was then modified to add the attractive well in order to study the photoionization of confined atoms [12].…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Photoionization of confined Ca in a spherical potential well

Hasoğlu

Zhou

Gorczyca³

et al. 2013

Phys. Rev. A

Self Cite

View full text Add to dashboard Cite

The photoionization cross section of the Ca atom, confined by a spherical annular potential, has been calculated using a modification to the Belfast R-matrix code for a variety of depths of the confining potential. The results show that the external potential affects the cross section, which is dominated by doubly excited autoionizing states, quite significantly, causing much of the oscillator strength to move into the discrete region of the spectrum. In addition, increasing well depth causes a level crossing between the first two excited states of Ca + , thereby changing the ordering of resonances dramatically. The calculation for free Ca shows excellent agreement with experiment.

show abstract

Section: Discussionmentioning

confidence: 96%

Section: Introductionmentioning

confidence: 99%

Photoionization of confined Ca in a spherical potential well

Hasoğlu

Zhou

Gorczyca³

et al. 2013

Phys. Rev. A

Self Cite

View full text Add to dashboard Cite

show abstract

“…The recent R-matrix study of the single photoionization of Xe@C 60 [26] is a promising step in this direction.…”

Section: Discussionmentioning

confidence: 99%

Sensitivity of cross sections to the diffuseness of the confining potential in time-dependent close-coupling calculations of the double photoionization of He@C60

2013

View full text Add to dashboard Cite

Calculations of the photoionization of endofullerenes often use a square-well potential to represent the confining fullerene. The sensitivity of the photoionization cross sections to the form of this model potential is explored here by the use of a diffuse potential. The cross sections for single photoionization with excitation and double photoionization of He@C 60 are found to show damping of the confinement resonance structure as the degree of diffuseness is increased using a commonly adopted well depth of 8.22 eV. For a deeper well depth of 11.00 eV, the double-photoionization cross section is found to be insensitive to the diffuseness of the confining potential, as has also been reported recently for the single photoionization of H@C 60 and Xe@C 60 [Dolmatov, King, and Oglesby, J. Phys. B 45, 105102 (2012)].

show abstract

“…In the photoionization studies of endohedral fullerenes the most attractive problem is the Xe 4d giant resonance of the Xe@C 60 molecule [4][5][6][7][8][9]. The advantage of studying the Xe@C 60 photoionization is that the Xe atom can be assumed to be located at the center of the C 60 .…”

Section: Introductionmentioning

confidence: 99%

Off-center effect on the photoabsorption spectra of encapsulated Xe atoms

Chen

Msezane

2014

Phys. Rev. A

View full text Add to dashboard Cite

The photoabsorption spectra of the Xe atoms encapsulated at different locations of the C 60 have been evaluated using the time-dependent density-functional theory. The calculations are performed in the energy region of the Xe 4d giant resonance. The results demonstrate that the main confinement resonances can result only when the Xe atom is located within a very small sphere of radius 0.3Å around the center of the fullerene. The small resonance peak around 100 eV has now been identified as a shape resonance of the free Xe 4d-f transition; it is not a confinement resonance.

show abstract

Photoionization of endohedral atoms usingR-matrix methods: Application to Xe@C60

Cited by 39 publications

References 48 publications

Photoionization of confined Ca in a spherical potential well

Photoionization of confined Ca in a spherical potential well

Sensitivity of cross sections to the diffuseness of the confining potential in time-dependent close-coupling calculations of the double photoionization of He@C60

Off-center effect on the photoabsorption spectra of encapsulated Xe atoms

Contact Info

Product

Resources

About