| dc.contributor.author | Zhang, John Z. H. | |
| dc.contributor.author | Chu, Shih-I | |
| dc.contributor.author | Miller, William H. | |
| dc.date.accessioned | 2014-11-25T17:48:30Z | |
| dc.date.available | 2014-11-25T17:48:30Z | |
| dc.date.issued | 1988-11-17 | |
| dc.identifier.citation | Zhang, John Z. H., Chu, Shih-I., Miller, William H. "Quantum scattering via the S‐matrix version of the Kohn variational principle." The Journal of Chemical Physics 88, 6233 (1988); http://dx.doi.org/10.1063/1.454462. | |
| dc.identifier.uri | http://hdl.handle.net/1808/15864 | |
| dc.description | This is the published version, also available here: http://dx.doi.org/10.1063/1.454462. | |
| dc.description.abstract | The S‐matrix version of the Kohn variational principle is used to obtain a very effective method for quantum scattering calculations. The approach is especially useful for the nonlocal (i.e., exchange) interactions that arise in chemically reactive scattering (and also in electron–atom/molecule scattering). The particular version developed in this paper has a more general structure than an earlier one by Miller and Jansen op de Haar [J. Chem. Phys. 8 6, 6213 (1987)], and applications to an elasticscattering problem, and also to three‐dimensional H+H2 reactive scattering, show that it is also more useful in practice. | |
| dc.publisher | Elsevier | |
| dc.subject | Molecule scattering | |
| dc.subject | Variational principles | |
| dc.subject | Elasticity | |
| dc.subject | Exchange interactions | |
| dc.title | Quantum scattering via the S‐matrix version of the Kohn variational principle | |
| dc.type | Article | |
| kusw.kuauthor | Chu, Shih-I | |
| kusw.kudepartment | Chemistry | |
| kusw.oastatus | na | |
| dc.identifier.doi | 10.1063/1.454462 | |
| kusw.oaversion | Scholarly/refereed, publisher version | |
| kusw.oapolicy | This item does not meet KU Open Access policy criteria. | |
| dc.rights.accessrights | openAccess | |
