Double photoionization of aligned molecular hydrogen

Journal Article · Wed Nov 15 00:00:00 EST 2006 · Physical Review. A

DOI:https://doi.org/10.1103/PHYSREVA.74.052702· OSTI ID:20974738

Vanroose, W ^[1]; Horner, D A; Rescigno, T N ^[2]; Martin, F ^[3]; McCurdy, C W ^[2]

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1. Departement Computerwetenschappen, Katholieke Universiteit Leuven, B-3001 Heverlee (Belgium)
2. Lawrence Berkeley National Laboratory, Chemical Sciences, Berkeley, California 94720 (United States)
3. Departamento de Quimica C-9, Universidad Autonoma de Madrid, 28049 Madrid (Spain)

We present converged, completely ab initio calculations of the triple differential cross sections for double photoionization of aligned H{sub 2} molecules for a photon energy of 75.0 eV. The method of exterior complex scaling, implemented with both the discrete variable representation and B-splines, is used to solve the Schroedinger equation for a correlated continuum wave function corresponding to a single photon having been absorbed by a correlated initial state. Results for a fixed internuclear distance are compared to recent experiments and show that integration over experimental angular and energy resolutions is necessary to produce good qualitative agreement, but does not eliminate some discrepancies. Limitations of current experimental resolution are shown to sometimes obscure interesting details of the cross section.

• OSTI ID: 20974738
• Journal Information: Physical Review. A, Vol. 74, Issue 5; Other Information: DOI: 10.1103/PhysRevA.74.052702; (c) 2006 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 1050-2947
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
CURRENTS
DIFFERENTIAL CROSS SECTIONS
ENERGY RESOLUTION
EV RANGE
HYDROGEN
MOLECULES
PHOTOIONIZATION
PHOTON-MOLECULE COLLISIONS
PHOTONS
SCALING
SCHROEDINGER EQUATION
WAVE FUNCTIONS