Abstract
A practical method for solving the close-coupling problem for electronically non-adiabatic transitions is presented. The present approach combines the separate advantages of adiabatic and diabatic sets by introducing a "crude adiabatic" basis set over limited intervals. The method requires as input the adiabatic potentials and a set of readily computed electronic overlap-type integrals at a discrete number of points.
Original language | English |
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Pages (from-to) | 168-171 |
Number of pages | 4 |
Journal | Chemical Physics Letters |
Volume | 13 |
Issue number | 2 |
DOIs | |
State | Published - 15 Feb 1972 |
Externally published | Yes |