This is the home page and hypertext help facility for Hibridon
TM, a program package
to solve the
close-coupled equations which occur in the quantum
treatment of inelastic atomic and molecular collisions. Gas-phase
scattering,
photodissociation, collisions
of atoms and/or molecules with flat
surfaces, and
bound states
of weakly-bound complexes can be treated. Although this hypertext help contains some general
formal material,
we assume here that you have some background with the quantum theory of inelastic
scattering.
New additions
At present the Hibridon
TM
package can be installed on the following
machines:
IBM RS/6000 workstations running under AIX 3.2.5, 4.1.3, 4.1.4, 4.2, 4.3
HP 9000 series workstations running under HPUX 9.03, 10.01, 10.2, 11.0
DEC Alpha workstations running under OSF 41.64
SGI workstations running under IRIX 5.2 and 6.5
Sun workstations running under SunOS 5.5.1 and 5.7
The HP (10.2 and 11.0) and IBM (4.3) versions are actively maintained;those on the other platforms
are maintained on a less regular basis
You can obtain a copy of the HibridonTM package as
a compressed tar archive in binary format (1.6 MB)
a UUencoded compressed tar archive in ascii format (2.3 MB)
This hypertext help facility will guide you in the installation
and application of Hibridon
TM. To ensure the proper display of special
characters, your ASCII encoding should be set to
ISO 8859-1 (Latin-1) Characters.
If your WEB browser does not
support Netscape's frames, then go
to
to open a second browser window with an index of all available help links.
Throughout these hypertext links, words in Typewriter Font denote
names of input parameters, variables, files, and directories. Names that
are enclosed in braces (for example, {name}) can take on different values.
Bold face is used for extra emphasis. Also, please take special note
of all comments and instructions which follow the warning
and take notice
signs
Installation instructions for the Hibridon
TM package are
available here

Installation also creates your own copy of these hypertext help files.
Calculations on any particular collision system involve linking
several
system specific subroutines which define the
interaction potential energy surface(s) together with a large number of general routines, which
have be compiled previously.
Execution of the Hibridon
TM package is controlled by the Hibridon driver.
- For a description of the commands to the driver,
- The scattering calculation is controlled by
- At present HibridonTM can treat a number of different types
of collision sytems. This is made possible
by the presence of multiple system specific subroutines:
- BASIS subroutines
which define the Hamiltonian matrix
- SYSDAT subroutines which control
the input of system specific data
- System specific POT subroutines which determine
the distance dependence of the potential matrix
V(R). Go
for a list of the POT subroutines which
have been furnished with the HibridonTM package.
A number of
examples have been prepared to help you learn
how to use the Hibridon
TM package. These are particularly instructive once you have
had an initial exposure to this help library.
The HibridonTM package was written by M.
H. Alexander, D. E. Manolopoulos, H.-J. Werner, and B. Follmeg, with
contributions by P. F. Vohralik, D. Lemoine, G. Corey, R. Gordon, B. Johnson, T.
Orlikowski, A. Berning, A. Degli-Esposti, C. Rist, P. Dagdigian, B.
Pouilly, G. van der Sanden, M. Yang, F. de Weerd, and S. Gregurick. Support for its development was provided
by grants (to MHA) from the U. S. National Science Foundation, the U. S. Army Research
Office, the Office of Scientific Research of the U. S. Air Force, and
(to HJW) from the German Fonds der Chemische Industrie. Copyright (c) 1987, 1991, 1993, 1996, 2003, University
of Maryland at College Park. All rights reserved.
For further inquiries
This version of Hibridon is dedicated to the memories of Sheldon Green
and Peter Andresen, whose untimely deaths
robbed us of two wonderful scientists who both made long-lasting and invaluable contributions
to the field of inelastic molecular collisions. Ave atque vale.
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Current Revision of this help library: 5-april-2003
Applicable version of HibridonTM: 4.1.5