Hybrid orbital and numerical grid representation for electronic continuum processes: Double photoionization of atomic beryllium

Journal Article · Sat May 15 04:00:00 EDT 2010 · Physical Review. A

DOI:https://doi.org/10.1103/PHYSREVA.81.053407· OSTI ID:21408844

Yip, F L; Rescigno, T N ^[1]; McCurdy, C W ^[1]

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1. Lawrence Berkeley National Laboratory, Chemical Sciences, and Ultrafast X-ray Science Laboratory, Berkeley, California 94720 (United States)

A general approach for ab initio calculations of electronic continuum processes is described in which the many-electron wave function is expanded using a combination of orbitals at short range and the finite-element discrete-variable representation (FEM-DVR) at larger distances. The orbital portion of the basis allows efficient construction of many-electron configurations in which some of the electrons are bound, but because the orbitals are constructed from an underlying FEM-DVR grid, the calculation of two-electron integrals retains the efficiency of the primitive FEM-DVR approach. As an example, double photoionization of beryllium is treated in a calculation in which the 1s{sup 2} core is frozen. This approach extends the use of exterior complex scaling (ECS), successfully applied to helium and H{sub 2}, to calculations with two active electrons on more complicated targets. Integrated, energy-differential and triply-differential cross sections are exhibited, and the results agree well with other theoretical investigations.

• OSTI ID: 21408844
• Journal Information: Physical Review. A, Journal Name: Physical Review. A Journal Issue: 5 Vol. 81; ISSN 1050-2947; ISSN PLRAAN
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
ALKALINE EARTH METALS
BERYLLIUM
CALCULATION METHODS
CROSS SECTIONS
DIFFERENTIAL CROSS SECTIONS
ELECTRONS
ELEMENTARY PARTICLES
ELEMENTS
FERMIONS
FINITE ELEMENT METHOD
FLUIDS
FUNCTIONS
GASES
HELIUM
HYDROGEN
INTEGRALS
IONIZATION
LEPTONS
MATHEMATICAL SOLUTIONS
METALS
NONMETALS
NUMERICAL SOLUTION
PHOTOIONIZATION
RARE GASES
WAVE FUNCTIONS