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Title of Journal: J Math Chem

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Abbravation: Journal of Mathematical Chemistry

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Springer Netherlands

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DOI

10.1007/bf01093762

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ISSN

1572-8897

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A family of fourstep trigonometricallyfitted met

Authors: T E Simos
Publish Date: 2007/11/01
Volume: 44, Issue: 2, Pages: 447-466
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Abstract

In this article we present a singularly almost Pstable exponentiallyfitted fourstep method for the approximate solution of the onedimensional Schrödinger equation More specifically we present a method that is singularly almost Pstable a concept later introduced in this article and also integrates exactly any linear combination of the functions 1 x exp  ±I v x  x exp  ±I v x  x 2 exp  ±I v x The numerical experimentation showed that our method is considerably more efficient compared to well known methods used for the approximate solution of resonance problem of the radial Schrödinger equation

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  2. A Method for Clustering and Screening of Long-dimensional Chemical Data Based on Fingerprints and Similarity Measurements
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