R-matrix with Pseudo-States (RMPS) method: application to CH + resonances curves

R-matrix with Pseudo-States (RMPS) method: application to CH + resonances curves

In a series of calculations on both electron and positron collisions with small molecules the R-Matrix with Pseudo-States (RMPS) method has been found to recover polarisation effects neglected in other close-coupling methods including the standard R-matrix procedure. The molecular R-Matrix and RMPS...

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Hauptverfasser: Madden, Dermot, Tennyson, Jonathan, Zhang, Rui
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description In a series of calculations on both electron and positron collisions with small molecules the R-Matrix with Pseudo-States (RMPS) method has been found to recover polarisation effects neglected in other close-coupling methods including the standard R-matrix procedure. The molecular R-Matrix and RMPS methods is being applied to determine low-lying resonance states of CH+ as a function of internuclear separation. Initial results are presented for both a standard R-matrix close-coupling model and for an RMPS calculation. Eigenphase sums and resonances below the 3Π threshold are presented for 2Π total symmetry. These resonances are classified by their quantum defects and compared to previous results. Prospects for these and other calculations using the RMPS method are discussed.
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subjects Coupling (molecular)
Physics
title R-matrix with Pseudo-States (RMPS) method: application to CH + resonances curves
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