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Physical Chemistry Chemical Physics : PCCP|April 12, 2012
Comparison of explicitly correlated local coupled-cluster methods with various choices of virtual orbitalsChristine Krause, Hans-Joachim WernerJournal of Chemical Theory and Computation|November 18, 2015
Scalable Electron Correlation Methods. 2. Parallel PNO-LMP2-F12 with Near Linear Scaling in the Molecular SizeQianli Ma, Hans-Joachim WernerJournal of Chemical Theory and Computation|January 6, 2021
Scalable Electron Correlation Methods. 8. Explicitly Correlated Open-Shell Coupled-Cluster with Pair Natural Orbitals PNO-RCCSD(T)-F12 and PNO-UCCSD(T)-F12Qianli Ma, Hans-Joachim WernerThe Journal of Physical Chemistry. A|December 5, 2024
Local Wave Function Embedding: Correlation Regions in PNO-LCCSD(T)-F12 CalculationsHans-Joachim Werner, Andreas HansenJournal of Chemical Theory and Computation|June 9, 2016
Parallel and Low-Order Scaling Implementation of Hartree-Fock Exchange Using Local Density FittingChristoph Köppl, Hans-Joachim WernerJournal of Chemical Theory and Computation|December 7, 2017
Scalable Electron Correlation Methods. 5. Parallel Perturbative Triples Correction for Explicitly Correlated Local Coupled Cluster with Pair Natural OrbitalsQianli Ma, Hans-Joachim WernerThe Journal of Chemical Physics|May 3, 2015
On the use of Abelian point group symmetry in density-fitted local MP2 using various types of virtual orbitalsChristoph Köppl, Hans-Joachim WernerThe Journal of Chemical Physics|March 24, 2018
Analytical energy gradients for explicitly correlated wave functions. II. Explicitly correlated coupled cluster singles and doubles with perturbative triples corrections: CCSD(T)-F12Werner Győrffy, Hans-Joachim WernerJournal of Chemical Theory and Computation|April 11, 2020
Scalable Electron Correlation Methods. 7. Local Open-Shell Coupled-Cluster Methods Using Pair Natural Orbitals: PNO-RCCSD and PNO-UCCSDQianli Ma, Hans-Joachim WernerThe Journal of Chemical Physics|June 10, 2019
Multi-state local complete active space second-order perturbation theory using pair natural orbitals (PNO-MS-CASPT2)Daniel Kats, Hans-Joachim WernerPageof 11