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Artur Wodyński1, Martin Kaupp1

  • 1Technische Universität Berlin, Institut für Chemie, Theoretische Chemie/Quantenchemie, Sekr. C7, Straße des 17. Juni 135, D-10623 Berlin, Germany.

概括

新的范围分离局部混合 (RSLH) 函数,如 ωLH25tdE,通过解决强相关性和移位错误,显著改善密度函数近似. 这种进步为热化学,动力学和相互作用提供了更高的精度.

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