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A novel discrete variable representation for quantum mechanical reactive scattering via the S-matrix Kohn method

โœ Scribed by Colbert, Daniel T.; Miller, William H.


Book ID
121843436
Publisher
American Institute of Physics
Year
1992
Tongue
English
Weight
952 KB
Volume
96
Category
Article
ISSN
0021-9606

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A pointwise representation of the s-matr
โœ Andrew C. Peet; William H. Miller ๐Ÿ“‚ Article ๐Ÿ“… 1988 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 625 KB

A method is proposed for reducing the complexity of scattering calculations carried out using the Kohn variational principle. The technique is based upon the use of a pointwise representation for the L2 part of the basis set and eliminates the need to explicitly evaluate any integrals involving such