INVARIANT IMBEDDING AND FULL COLLISION MATRIX-METHODS - INCORPORATIONOF CLOSED CHANNELS, COMPLEX POTENTIALS, AND DETERMINATION OF BOUND-STATE ENERGIES

Authors
Citation
I. Tuvi et Yb. Band, INVARIANT IMBEDDING AND FULL COLLISION MATRIX-METHODS - INCORPORATIONOF CLOSED CHANNELS, COMPLEX POTENTIALS, AND DETERMINATION OF BOUND-STATE ENERGIES, The Journal of chemical physics, 99(12), 1993, pp. 9697-9703
Citations number
19
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
99
Issue
12
Year of publication
1993
Pages
9697 - 9703
Database
ISI
SICI code
0021-9606(1993)99:12<9697:IIAFCM>2.0.ZU;2-S
Abstract
We demonstrate the relationship between the full collision matrix [J. Chem. Phys. 88, 2309 (1988)] and the invariant imbedding [J. Chem. Phy s. 77, 1942 (1982)] methods for quantum scattering. We show how to inc lude closed channels into scattering calculations employing these meth ods, yet retaining the inherent stability of the methods. We develop t echniques for using these methods for (single and) multichannel bound state problems to determine the bound state energy eigenvalues. The me thod is generalized to include complex potentials in order to simulate decay.