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Theoretical and Computational Chemistry

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Christian L. Ritterhoff

2 results in Authors: Christian L. Ritterhoff

Theoretical and Computational Chemistry

Restricted-Variance Molecular Geometry Optimization Based on Gradient-Enhanced Kriging

Gerardo Raggi, Ignacio Fernández Galván, Christian L. Ritterhoff, Morgane Vacher, Roland Lindh

851

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Theoretical and Computational Chemistry

The Use of Kriging Within the SCF Procedure

Christian L. Ritterhoff

467

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