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Ágnes Szabados1, András Gombás2, Péter R Surján1

  • 1Laboratory of Theoretical Chemistry, Institute of Chemistry, Faculty of Science, ELTE Eötvös Loránd University, 112, P.O.B. 32, H-1518 Budapest, Hungary.

概括

本研究介绍了多参数扰乱理论 (PT) 的诺尔斯分区,优化单体积分,比莫勒-普莱塞特 (MP) 方法提供更高的性能. 新方法提高了电子结构计算的准确性.

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