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Manuscript Title: Quantum vibrational eigenstates from classical origins.
Authors: J.H. Frederick, E.J. Heller
Program title: DEMETER
Catalogue identifier: ABDM_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 51(1988)83
Programming language: Fortran.
Computer: CONVEX C-1.
Operating system: UNIX.
RAM: 32K words
Word size: 64
Peripherals: magnetic tape.
Keywords: Molecular, Vibrations.
Classification: 16.3.

Subprograms used:
Cat Id Title Reference
ABDL_v1_0 PANDORA CPC 51(1988)83

Nature of problem:
DETMETER uses output from PANDORA to construct a specified quantum mechanical basis set from semiclassical eigenstates and diagonalizes. Command input at runtime is used to control (i) which semiclassical functions will be included in the basis, (ii) whether or not eigenvectors will be computed and stored, and (iii) whether or not the Hamiltonian and overlap matrices are stored for subsequent calculations.