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About this manual

This manual primarily addresses the user. It ought to help him make himself aquainted with the usage of AOMX and also to serve him later on as a reference-book when putting input files together. The presentation of theory has therefore been restricted to the most important foundations and has been moved into an appendix in order not to hinder the function of this document as a reference-book.

The second section describes the functionality of the AOMX program. The components of the applied Hamiltonian operator are explained concisely without going into details of the underlying theory. Further important features like the treatment of symmetry, parameter optimization and programmable input are also introduced.

Subject of the third section is the structure of an input file: it is explained in detail how the separate program functions can be invoked, examples make the formal descriptions plain. This section is the kernel of the present manual.

Appendix A is designed to be a supplement of the third section. Beneath illustrative input file examples, it also contains a list of questions together with the corresponding answers that can occur during usage of AOMX or already during its installation.

Appendix B presents to the user the theoretical foundations of the Angular Overlap Model as well as the concept of holohedry on which the symmetry part of AOMX is based.



Heribert Adamsky
Sat Sep 14 16:23:16 MET DST 1996