Normal coordinate analysis of crystals

Published: 1 January 1975| Version 1 | DOI: 10.17632/fsjdn25h64.1
Contributor:
J.Th.M. De Hosson

Description

Title of program: NORMAL COORDINATE ANALYSIS Catalogue Id: ACKJ_v1_0 Nature of problem A program has been written for solving the vibrational secular equation in cartesian coordinates and for adjusting a set of force constants to give a fit of calculated and observed frequencies, which are measured by means of infrared transmission spectroscopy. Versions of this program held in the CPC repository in Mendeley Data ACKJ_v1_0; NORMAL COORDINATE ANALYSIS; 10.1016/0010-4655(75)90077-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

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Categories

Surface Science, Condensed Matter Physics, Computational Physics

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