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57. GNCTP: General Normal Coordinate Treatment
by R. R. Hart, Bell Laboratories, Murray Hill, New Jersey 07974; and R. W. Estin and E. A. Piotrowski, Illinois Institute of Technology, Chicago, Illinois 60616 Program for carrying out many normal coordinate calculations, including multiplication of potential energy matrix F and kinetic energy matrix G, Danielevsky's method for coefficients of product matrix characteristic polynomial, Newton's method for root of polynomial, conversion of eigenvalues to cm-1, and various additional options. FORTRAN II (IBM 1620) Lines of Code: 259 Recommended Citation: R. R. Hart et al., QCPE 11, 57 (1965). |