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Title: A new approach to Kołos-Wolniewicz wave functions
Authors: Kubacki, Tomasz
Komasa, Jacek
Keywords: Hydrogen molecule
Kołos-Wolniewicz wave function
Nonlinear optimization
Issue Date: 2004
Publisher: Polish Chemical Society
Citation: Annals of Polish Chemical Society vol.3, 2004, pp.457-460
Abstract: The Kołos-Wolniewicz (KW) wave functions are well known in quantum chemistry. In this work we study a possibility of generalization of KW functions towards greater flexibility and compactness. We report on a new approach to evaluation of integrals which allows numerical integration to be avoided. Some preliminary results illustrating an acceleration in energy convergence are reported.
Appears in Collections:Artykuły naukowe (WCh)

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