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Theoretical and Computational Chemistry

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Efficient Implementation

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2 results in Keywords: Efficient Implementation

Theoretical and Computational Chemistry

An integral-direct GOSTSHYP algorithm for the computation of high pressure effects on molecular and electronic structure

Ansgar Pausch, Felix Zeller, Tim Neudecker

Version 1 posted 06 November 2024

53

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Theoretical and Computational Chemistry

Communication: Efficient Approximate Screening Techniques for Integrals over London Atomic Orbitals

Simon Blaschke, Stella Stopkowicz, Ansgar Pausch

Version 1 posted 03 May 2024

106

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