Quantum scattering via the S‐matrix version of the Kohn variational principle
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چکیده
منابع مشابه
A Pointwise Representation of the S-matrix Kohn Variational Principle for Quantum Scattering
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 functions. Application to potential and inelastic scattering test cases show the method to be of...
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15 صفحه اولQUANTUM REACTIVE SCATTERING VIA THE S-MATRIX VERSION OF THE KOHN VARIATIONAL PRINCIPLE: INTEGRAL CROSS SECTIONS FOR H+H,(z+=j,=O)~H&=l, j,=l, 3)+H IN THE ENERGY RANGE &,,,=0.9-1.4 eV
Fully converged state-to-state integral cross sections are reported for rhe reaction H + H2(uI =I, =0)4H, (z+= I, jz= 1 and 3) +H overa wde range ofenergy. The calculations include up to 19 partial waves (i.e. total angular momentum quantum numbers J=O, 1, _.., 18), which yield converged I+= I cross sections for total energies from threshold (~0.9 eV) up to z 1.4 eV. Phc calculated cross sectlo...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 1988
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.454462