Multireference Nature of Chemistry: The Coupled-Cluster View von Lyakh, Dmitry I, Musiał, Monika, Lotrich, Victor F, Bartlett, Rodney J

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Benchmark Studies on the Building Blocks of DNA. 1. Superiority of Coupled Cluster Methods in Describing the Excited States of Nucleobases in the Franck–Condon Region von Szalay, Péter G, Watson, Thomas, Perera, Ajith, Lotrich, Victor F, Bartlett, Rodney J

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Ab initio density functional theory: The best of both worlds? von Bartlett, Rodney J., Lotrich, Victor F., Schweigert, Igor V.

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Massively Parallel Computational Chemistry with the Super Instruction Architecture and ACES4 von Byrd, Jason N., Lotrich, Victor F., Sanders, Beverly A.

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Advanced concepts in electronic structure (ACES) software programs von Perera, Ajith, Bartlett, Rodney J., Sanders, Beverly A., Lotrich, Victor F., Byrd, Jason N.

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Ab initio correlation functionals from second-order perturbation theory von Schweigert, Igor V., Lotrich, Victor F., Bartlett, Rodney J.

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Parallel implementation of the equation-of-motion coupled-cluster singles and doubles method and application for radical adducts of cytosine von Kuś, Tomasz, Lotrich, Victor F., Bartlett, Rodney J.

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A theoretical investigation of the hydrolysis of uranium hexafluoride: the initiation mechanism and vibrational spectroscopy von Lutz, Jesse J, Byrd, Jason N, Lotrich, Victor F, Jensen, Daniel S, Zádor, Judit, Hubbard, Joshua A

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Benchmarking for Perturbative Triple-Excitations in EE-EOM-CC Methods von Watson, Thomas J, Lotrich, Victor F, Szalay, Peter G, Perera, Ajith, Bartlett, Rodney J

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Correlation correction to configuration interaction singles from coupled cluster perturbation theory von Byrd, Jason N, Lotrich, Victor F, Bartlett, Rodney J

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Software design of ACES III with the super instruction architecture von Deumens, Erik, Lotrich, Victor F., Perera, Ajith, Ponton, Mark J., Sanders, Beverly A., Bartlett, Rodney J.

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RDX Geometries, Excited States, and Revised Energy Ordering of Conformers via MP2 and CCSD(T) Methodologies: Insights into Decomposition Mechanism von Molt, Robert W, Watson, Thomas, Lotrich, Victor F, Bartlett, Rodney J

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An ab initio study of the (H2O)20H+ and (H2O)21H+ water clusters von Kuś, Tomasz, Lotrich, Victor F., Perera, Ajith, Bartlett, Rodney J.

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The ‘tailored’ CCSD(T) description of the automerization of cyclobutadiene von Lyakh, Dmitry I., Lotrich, Victor F., Bartlett, Rodney J.

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Jahn-Teller effect in van der Waals complexes; Ar-C6H6 + and Ar-C6D6 von van der Avoird, Ad, Lotrich, Victor F

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Method for the ab initio calculation of intermolecular potentials of ionic clusters: Test on Rg–CO+, Rg=He, Ne, Ar von Lotrich, Victor F., van der Avoird, Ad

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Theoretical study of the He-HF+ complex. I. The two asymptotically degenerate ground state potential energy surfaces von Lotrich, Victor F, Wormer, Paul E S, van der Avoird, Ad

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Singlet–triplet separations of di-radicals treated by the DEA/DIP-EOM-CCSD methods von Perera, Ajith, Molt, Robert W., Lotrich, Victor F., Bartlett, Rodney J.

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An ab initio study of the ( H 2 O ) 20 H + and ( H 2 O ) 21 H + water clusters von Kuś, Tomasz, Lotrich, Victor F., Perera, Ajith, Bartlett, Rodney J.

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Coupled cluster geometries and energies of C20 carbon cluster isomers – A new benchmark study von Jin, Yifan, Perera, Ajith, Lotrich, Victor F., Bartlett, Rodney J.

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