LPNO-MkCCSD methodTowards multireference coupled cluster calculations of large molecules without sup

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户:plm0plm
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This poster reports the development and implementation of a local variant of Mukherjees state specific multireference coupled cluster method [1] based on the pair natural orbital approach(LPNO-MkCC).
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