Published January 15, 1986
| Version v1
Journal article
More on the multidimensional surface intersection problem and classical trajectory surface hopping
Creators
- 1. M-1, C920, Los Alamos National Laboratory, Los Alamos, New Mexico 87545
Description
We respond to the previous Comment by Mead and Truhlar pointing out a circularity in our published analysis of a trajectory passing through a locally avoided intersection of potential energy surfaces in a two state system. We did not distinguish clearly in that analysis between properties of the physical system and those of our model for it. Our ''reduction'' to a one-dimensional problem is rather a ''mapping'' onto a one-dimensional model. We present a clearer description of the actual procedures we used to demonstrate that our method is valid for the types of systems to which we have applied it
Additional details
Publishing Information
- Journal Title
- J. Chem. Phys.
- Journal Volume
- 84
- Journal Issue
- 2
- Series
- J. Chem. Phys.
- Journal Page Range
- 1056-1057
- ISSN
- 0021-9606
- CODEN
- JCPSA
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 17030988
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- CHEMICAL REACTION KINETICS; ELECTRONIC STRUCTURE; MATHEMATICAL MODELS; POTENTIAL ENERGY
- Descriptors DEC
- ENERGY; KINETICS; REACTION KINETICS