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Positron collisions...
Positron collisions with molecular hydrogen: cross sections and annihilation parameters calculated using the R-matrix with pseudo-states method
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Zhang, Rui (författare)
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Baluja, Kasturi L. (författare)
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- Franz, Jan, 1973 (författare)
- Gothenburg University,Göteborgs universitet,Institutionen för kemi,Department of Chemistry
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visa fler...
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Tennyson, Jonathan (författare)
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visa färre...
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(creator_code:org_t)
- 2011
- 2011
- Engelska.
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Ingår i: J. Phys. B: At. Mol. Opt. Phys.. - 0953-4075 .- 1361-6455. ; 44:3
- Relaterad länk:
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https://gup.ub.gu.se...
Abstract
Ämnesord
Stäng
- The molecular R-matrix with pseudo-states (MRMPS) method is employed to study positron collisions with H2. The calculations employ pseudo-continuum orbital sets containing up to h (l = 5) functions. Use of these high l functions is found to give converged eigenphase sums. Below the positronium formation threshold, the calculated cross sections agree with other high-accuracy theories and generally with the measurements. Calculation of the positron annihilation parameter Zeff with the MRMPS wavefunctions gives values significantly higher than other R-matrix wavefunctions but still do not completely converge with h functions. Extrapolation to higher l-values leads to a predicted value of Zeff for H2 of about 10.4. The MRMPS method is both completely general and ab initio; it can therefore be applied to positron collisions with other molecular targets.
Ämnesord
- NATURVETENSKAP -- Fysik -- Subatomär fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Subatomic Physics (hsv//eng)
- NATURVETENSKAP -- Fysik -- Atom- och molekylfysik och optik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Atom and Molecular Physics and Optics (hsv//eng)
- NATURVETENSKAP -- Kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences (hsv//eng)
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
Nyckelord
- Positron scattering
- Ab initio calculations
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