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LPNO-MkCCSD methodTowards multireference coupled cluster calculations of large molecules without sup
[会议论文] 作者：O.Demel,J.Pittner,F.Neese,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
This poster reports the development and implementation of a local variant of Mukherjees state specific multireference coupled cluster method [1] based on the pa...
[会议论文] 作者：J.Pittner,M.Pederzoli,M.Kyvala,F.Plasser,M.Barbatti,R.Crespo-Otero,H.Lischka,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
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[会议论文] 作者：J.Pittner,M.Pederzoli,M.Kyvala,F.Plasser,R.Crespo-Otero,M.Barbatti,H.Lischka,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
Molecular dynamics(MD) represents an important tool for modeling of the behavior of molecular systems in time....
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