Published January 15, 1986 | Version v1
Journal article

More on the multidimensional surface intersection problem and classical trajectory surface hopping

  • 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