POTLIB 2001: A potential energy surface library for chemical systems

Abstract POTLIB 2001 is a computer program library of global chemical potential energy surface (PES) functions (91 functions in version 1.0) along with test data, a suite of utility programs, and a convenient user interface. The PES programs are written in ANSI standard FORTRAN77 and can be used to...

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Bibliographische Detailangaben

1. Verfasser:	Duchovic, Ronald J
Format:	Dataset
Sprache:	eng
Schlagworte:	Computational Physics Molecular Physics Physical Chemistry
Online-Zugang:	Volltext bestellen
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