Fourier transform of two-centre charge distribution
- 28 March 1980
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 13 (6) , 1049-1056
- https://doi.org/10.1088/0022-3700/13/6/013
Abstract
At medium and high collision energies travelling orbitals must be employed in charge-transfer calculations. This results in two-centre matrix elements of the form of a Fourier transform. Similar Fourier transform matrix elements arise in the Bethe theory of the scattering of a structureless charged particle by a diatomic molecule as well as in the computation of the coherent and incoherent intensity for X-rays scattered by molecules. No simple general expression exists for Slater-type orbitals (STO). The author derives such a general expression which contains only small sums and a single numerical integral over an integrand which contains a spherical Bessel function.Keywords
This publication has 11 references indexed in Scilit:
- Evaluation of exchange matrix elements with momentum transfer for ion-atom collisionsJournal of Physics B: Atomic and Molecular Physics, 1979
- K-Shell Charge Transfer Cross Sections in Bates-Bornlike FormalismsIEEE Transactions on Nuclear Science, 1979
- Two-centre exchange matrix elements and the mass dependence of the charge transfer cross section in ion-atom collisionsJournal of Physics B: Atomic and Molecular Physics, 1975
- Calculation of one-electron two-centre exchange matrix elements in ion-atom collisionsJournal of Physics B: Atomic and Molecular Physics, 1974
- Two-center calculations for x-ray scatteringJournal of Computational Physics, 1973
- Evaluation of exchange matrix elements for heavy particle collisionsProceedings of the Physical Society, 1967
- The Evaluation of Two Center Integrals Involved in the Calculation of the Intensity of Diffracted Electrons and X-Rays from MoleculesJournal of the Physics Society Japan, 1965
- Electron capture by fast protons and α-particles in hydrogenProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1963
- Resonance charge transfer between H(1s) and H + calculated by means of an approximation based on an expansion in atomic eigenfunctionsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1961
- Distorted Wave Method for Electron Capture from Atomic HydrogenPhysical Review B, 1960