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Theoretical and Computational Chemistry

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Self-consistent field

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2 results in Keywords: Self-consistent field

Theoretical and Computational Chemistry

The Use of Kriging Within the SCF Procedure

Christian L. Ritterhoff

Version 1 posted 09 March 2020

524

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1

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Theoretical and Computational Chemistry

Impacts of Polarizable Continuum Models on the SCF Convergence and DFT Delocalization Error of Large Molecules

Fangning Ren, Fang Liu

Version 3 posted 17 October 2022

406

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