Scalable Electron Correlation Methods. 4. Parallel Explicitly Correlated Local Coupled Cluster with Pair Natural Orbitals (PNO-LCCSD-F12) (vol 13, pg 4871, 2017)

Ma Qianli; Schwilk Max; Koeppl Christoph; Werner Hans-Joachim

首页> 外文期刊>Journal of chemical theory and computation: JCTC >Scalable Electron Correlation Methods. 4. Parallel Explicitly Correlated Local Coupled Cluster with Pair Natural Orbitals (PNO-LCCSD-F12) (vol 13, pg 4871, 2017)

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Scalable Electron Correlation Methods. 4. Parallel Explicitly Correlated Local Coupled Cluster with Pair Natural Orbitals (PNO-LCCSD-F12) (vol 13, pg 4871, 2017)

机译：可扩展的电子相关方法。 4.平行明确相关的本地耦合集群，配对自然轨道（PNO-LCCSD-F12）（Vol 13，PG 4871,2017）

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《Journal of chemical theory and computation: JCTC》 |2018年第12期|共1页
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Ma Qianli; Schwilk Max; Koeppl Christoph; Werner Hans-Joachim;
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中图分类化学键的量子力学理论;化学;
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1. Scalable Electron Correlation Methods. 4. Parallel Explicitly Correlated Local Coupled Cluster with Pair Natural Orbitals (PNO-LCCSD-F12) (vol 13, pg 4871, 2017) [J] . Ma Qianli, Schwilk Max, Koeppl Christoph, Journal of chemical theory and computation: JCTC . 2018,第12期

机译：可扩展的电子相关方法。 4.平行明确相关的本地耦合集群，配对自然轨道（PNO-LCCSD-F12）（Vol 13，PG 4871,2017）
2. Scalable Electron Correlation Methods. 5. Parallel Perturbative Triples Correction for Explicitly Correlated Local Coupled Cluster with Pair Natural Orbitals [J] . Ma Qianli, Werner Hans-Joachim Journal of chemical theory and computation: JCTC . 2018,第1期

机译：可扩展的电子相关方法。 5.与对自然轨道的明确相关局部耦合簇的平行扰动三元校正
3. Scalable Electron Correlation Methods. 3. Efficient and Accurate Parallel Local Coupled Cluster with Pair Natural Orbitals (PNO-LCCSD) [J] . Schwilk Max, Ma Qianli, Koeppl Christoph, Journal of chemical theory and computation: JCTC . 2017,第8期

机译：可扩展的电子相关方法。 3.具有对自然轨道（PNO-LCCSD）的高效和准确的并行局部耦合簇
4. Coupled Cluster Benchmark of New Density Functionals and of Domain Pair Natural Orbital Methods: Mechanisms of Hydroarylation and Oxidative Coupling Catalyzed by Ru(II) Chloride Carbonyls [C] . Irena Efremenko, Jan M.L. Martin International Conference of Computational Methods in Sciences and Engineering . 2019

机译：新密度函数和结构域对自然轨道方法的耦合簇基准：Ru（II）氯化物羰基催化的水芳缩合和氧化偶联机制
5. LOCALIZED ORBITAL AND PSEUDONATURAL ORBITAL APPROACH TO THE ELECTRON CORRELATION PROBLEM. [D] . TANG, KIM CHUNG. 1971

机译：电子相关问题的局部轨道和拟假轨道方法。
6. Local Energy Decomposition of Open-Shell MolecularSystems in the Domain-Based Local Pair Natural Orbital Coupled ClusterFramework [O] . Ahmet Altun, Masaaki Saitow, Frank Neese, -1

机译：开壳分子的局部能分解基于域的本地对自然轨道耦合集群中的系统构架
7. First principles calculations of the structure and V L-edge X-ray absorption spectra of V₂O₅ using local pair natural orbital coupled cluster theory and spin-orbit coupled configuration interaction approaches [O] . Maganas, D., Roemelt, M., Hävecker, M., 2013

机译：利用局部对自然轨道耦合簇理论和自旋轨道耦合配置相互作用，对V _{2 O _{5 的结构和V L边X射线吸收光谱进行了第一性原理计算方法}}

Scalable Electron Correlation Methods. 4. Parallel Explicitly Correlated Local Coupled Cluster with Pair Natural Orbitals (PNO-LCCSD-F12) (vol 13, pg 4871, 2017)

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