ABCD; atom-triatom nonreactive collisions. [CDC7600,CYBER175; FORTRAN IV]

Technical Report ·

OSTI ID:6426115

Schatz, G C

ABCD integrates trajectories simulating nonreactive collisions between an atom and a triatomic molecule, and calculates quasiclassical integral and differential cross sections for vibrationally inelastic scattering using a rotational sudden approximation. Both the intermolecular and the intramolecular potentials must be supplied.CDC7600,CYBER175; FORTRAN IV; SCOPE 2.1 (CDC7600), NOS 1.3 (CDC CYBER175); 36,000 (octal) words of memory are required for execution on the CDC7600; 41,000 (octal) words are needed on the CDC CYBER175..

• Research Organization: Northwestern Univ., Evanston, IL (USA). Dept. of Chemistry
• OSTI ID: 6426115
• Report Number(s): ANL/NESC-954; ON: DE83048954
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
A CODES
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
COLLISIONS
COMPUTER CODES
CROSS SECTIONS
DIFFERENTIAL EQUATIONS
EQUATIONS
HAMILTON-JACOBI EQUATIONS
INELASTIC SCATTERING
MOLECULE COLLISIONS
MONTE CARLO METHOD
PARTIAL DIFFERENTIAL EQUATIONS
POTENTIALS
SCATTERING