Comment on "on the direct complex scaling of matrix elements expressed in a discrete variable representation: Application to molecular resonances" [J. Chem. Phys. 104, 7008 (1996)]

Abstract

The Cauchy-Goursat theorem is used to derive a surface integral correction term for the computation of complex scaled potential matrix elements in the sine-based DVR procedure originally proposed by Museth and Leforestier. Test results show that scatter in the complex energy trajectories is removed by including this term. © 1998 American Institute of Physics.