Quantum functional sensitivity analysis within the log-derivative Kohn variational method for reactive scattering
- 1 November 1992
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 97 (9) , 6226-6239
- https://doi.org/10.1063/1.463706
Abstract
No abstract availableKeywords
This publication has 100 references indexed in Scilit:
- The application of time-dependent wavepacket methods to reactive scatteringComputer Physics Communications, 1991
- Computation of cross sections for the F+H2(v=0,j=0) ? FH(v?j)+H reaction by the hyperspherical methodTheoretical Chemistry Accounts, 1991
- A time-dependent wave packet approach to atom–diatom reactive collision probabilities: Theory and application to the H+H2 (J=0) systemThe Journal of Chemical Physics, 1990
- Translational basis set contraction in variational reactive scatteringThe Journal of Chemical Physics, 1990
- Rapid convergence of basis set expansions for quantum mechanical reactive amplitude densities: channel-dependent expansion lengthsThe Journal of Physical Chemistry, 1990
- Quantum reactive scattering via the log derivative version of the Kohn variational principle: General theory for bimolecular chemical reactionsThe Journal of Chemical Physics, 1989
- A three dimensional quantum reactive scattering study of the I+HI reaction and of the IHI− photodetachment spectrumThe Journal of Chemical Physics, 1989
- Quantum mechanical algebraic variational methods for inelastic and reactive molecular collisionsThe Journal of Physical Chemistry, 1988
- A new basis set method for quantum scattering calculationsThe Journal of Chemical Physics, 1987
- An operator approach to functional sensitivity analysis in reactive molecular scatteringThe Journal of Chemical Physics, 1987