Molecular dynamics of rigid systems in cartesian coordinates A general formulation

Giovanni Ciccotti(CEA Paris-Saclay), Mauro Ferrario(Université Libre de Bruxelles), Jean-Paul Ryckaert(Université Libre de Bruxelles)
Molecular Physics
December 20, 1982
Cited by 340Open Access
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Abstract

The dynamics of rigid polyatomic systems, either molecules or rigid portions of large molecules, is described by cartesian equations of motion for its atoms. In comparison with the original version of the method of constraints


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