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On several alternatives for Löwdin orthogonalization
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On several alternatives for Löwdin orthogonalization
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Bibliographic description
title:
On several alternatives for Löwdin orthogonalization
author:
Szczepanik Dariusz
, Mrozek Janusz
journal title:
Computational and Theoretical Chemistry
volume:
1008
date of publication :
2013
pages:
15-19
ISSN:
2210-271X
eISSN:
2210-2728
DOI:
10.1016/j.comptc.2012.12.013
language:
English
journal language:
English
keywords in English:
symmetric orthogonalization, Löwdin’s atomic orbital, pre-orthogonalization, Gram-Schmidt procedure, maximum overlap criterion
affiliation:
Wydział Chemii : Zakład Metod Obliczeniowych Chemii, Wydział Chemii : Zakład Chemii Teoretycznej im. K. Gumińskiego
type:
journal article
subtype:
academic paper
punktacja MEiN [2013 A]: 15
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