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QUANTUM SCATTERING VIA THE LOG DERIVATIVE VERSION OF THE KOHN VARIATIONAL PRINCIPLE

Abstract:

The log derivative version of Kohn's variational principle is used as a setting for a new numerical approach to quantum scattering problems. In particular, a new radial basis set is devised which is both (a) ideally suited to the log derivative boundary value problem, and (b) directly amenable to a discrete representation based on Gauss-Lobatto quadrature. This discrete representation greatly facilitates the evaluation of the exchange integrals which arise in Miller's formulation of chemical ...

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Publication status:
Published

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Authors


MANOLOPOULOS, D More by this author
Journal:
CHEMICAL PHYSICS LETTERS
Volume:
152
Issue:
1
Pages:
23-32
Publication date:
1988-11-04
DOI:
ISSN:
0009-2614
URN:
uuid:765a6de6-3093-4ca3-9abf-9c9ce2613090
Source identifiers:
42964
Local pid:
pubs:42964
Language:
English

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