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Journal of Chemical Theory and Computation|November 18, 2015
Open-ended recursive calculation of single residues of response functions for perturbation-dependent basis setsDaniel H Friese, Magnus Ringholm, Bin Gao, et al.Journal of Chemical Theory and Computation|November 18, 2015
Spectrum for nonmagnetic mott insulators from power functional within reduced density matrix functional theoryY Shinohara, S Sharma, S Shallcross, et al.Journal of Chemical Theory and Computation|November 18, 2015
Tuning electron transport through functionalized C20H10 molecular junctionsLaura Zoppi, Andrea Ferretti, Kim K BaldridgeJournal of Chemical Theory and Computation|November 18, 2015
Quantum chemical benchmark study on 46 RNA backbone families using a dinucleotide unitHolger Kruse, Arnost Mladek, Konstantinos Gkionis, et al.Journal of Chemical Theory and Computation|November 18, 2015
Multi-Scale Approach to Non-Adiabatic Charge Transport in High-Mobility Organic SemiconductorsAlexander Heck, Julian J Kranz, Tomáš Kubař, et al.Journal of Chemical Theory and Computation|November 18, 2015
de Broglie Swapping Metadynamics for Quantum and Classical SamplingMarco Nava, Ruge Quhe, Ferruccio Palazzesi, et al.Journal of Chemical Theory and Computation|November 18, 2015
Many-Body Basis Set Superposition EffectJohn F Ouyang, Ryan P A BettensJournal of Chemical Theory and Computation|November 18, 2015
Linearized Coupled Cluster Correction on the Antisymmetric Product of 1-Reference Orbital GeminalsKatharina Boguslawski, Paul W AyersJournal of Chemical Theory and Computation|November 18, 2015
A Local Variant of the Conductor-Like Screening Model for Fragment-Based Electronic-Structure MethodsAlbrecht Goez, Johannes NeugebauerJournal 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 WernerPageof 1,139