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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 33, 1977 - Issue 1
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Original Articles

Non-empirical pseudopotentials for molecular calculations

I. The PSIBMOL algorithm and test calculations

J.C. Barthelat Laboratorie de Physique Quantique, Université Paul Sabatier, 31077, Toulouse Cedex, France
,
Ph. Durand Laboratorie de Physique Quantique, Université Paul Sabatier, 31077, Toulouse Cedex, France
&
A. Serafini Labortoire de Chimie de Coordination du CNRS, B.P. 4142, 31030, Toulouse Cedex, France
Pages 159-180 | Received 19 Jul 1976, Published online: 22 Aug 2006

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A. Serafini, J.C. Barthelat & Ph. Durand. (1978) Non-empirical pseudo-potentials for molecular calculations. Molecular Physics 36:5, pages 1341-1357.
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Ch. Teichteil, J.P. Malrieu & J.C. Barthelat. (1977) Non-empirical pseudopotentials for molecular calculations. Molecular Physics 33:1, pages 181-197.
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