Efficient Integral-Direct Methods for Self-Consistent Reduced Density Matrix Functional Theory Calculations on Central and Graphics Processing Units von Lemke, Y., Kussmann, J., Ochsenfeld, C.

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A scaled explicitly correlated F12 correction to second-order Møller–Plesset perturbation theory von Urban, L., Thompson, T. H., Ochsenfeld, C.

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Scaled opposite-spin atomic-orbital based algebraic diagrammatic construction scheme for the polarization propagator with asymptotic linear-scaling effort: Theory and implementatio... von Ambroise, M. A., Sacchetta, F., Graf, D., Ochsenfeld, C., Dreuw, A.

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An effective sub-quadratic scaling atomic-orbital reformulation of the scaled opposite-spin RI-CC2 ground-state model using Cholesky-decomposed densities and an attenuated Coulomb... von Sacchetta, F., Graf, D., Laqua, H., Ambroise, M. A., Kussmann, J., Dreuw, A., Ochsenfeld, C.

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Communication: A reduced scaling J-engine based reformulation of SOS-MP2 using graphics processing units von Maurer, S A, Kussmann, J, Ochsenfeld, C

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[P3Se4]+: A Binary Phosphorus Selenium Cation von Feldmann, K.-O., Wiegand, T., Ren, J., Eckert, H., Breternitz, J., Groh, M. F., Müller, U., Ruck, M., Maryasin, B., Ochsenfeld, C., Schön, O., Karaghiosoff, K., Weigand, J. J.

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Structure Assignment in the Solid State by the Coupling of Quantum Chemical Calculations with NMR Experiments:  A Columnar Hexabenzocoronene Derivative von Ochsenfeld, Christian, Brown, Steven P, Schnell, Ingo, Gauss, Jürgen, Spiess, Hans Wolfgang

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Linear scaling exchange gradients for Hartree–Fock and hybrid density functional theory von Ochsenfeld, Christian

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Ab Initio NMR Spectra for Molecular Systems with a Thousand and More Atoms: A Linear-Scaling Method von Ochsenfeld, Christian, Kussmann, Jörg, Koziol, Felix

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Locality and Sparsity of Ab Initio One-Particle Density Matrices and Localized Orbitals von Maslen, P. E, Ochsenfeld, C, White, C. A, Lee, M. S, Head-Gordon, M

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A combined experimental and theoretical study on the formation of interstellar C3H isomers von KAISER, R. I, OCHSENFELD, C, HEAD-GORDON, M, LEE, Y. T, SUITS, A. G

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Rigorous integral screening for electron correlation methods von Lambrecht, Daniel S., Doser, Bernd, Ochsenfeld, Christian

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Multipole-based integral estimates for the rigorous description of distance dependence in two-electron integrals von Lambrecht, Daniel S., Ochsenfeld, Christian

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Linear and sublinear scaling formation of Hartree–Fock-type exchange matrices von Ochsenfeld, Christian, White, Christopher A., Head-Gordon, Martin

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An ab initio study of the relation between NMR chemical shifts and solid-state structures: hexabenzocoronene derivatives von Ochsenfeld, Christian

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Combined crossed molecular beams and ab initio investigation of the formation of carbon-bearing molecules in the interstellar medium via neutral–neutral reactions von Kaiser, R. I., Ochsenfeld, C., Stranges, D., Head-Gordon, M., Lee, ¶ Y. T.

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Crossed-beam reaction of carbon atoms with sulfur containing molecules. I. Chemical dynamics of thioformyl (HCS X2A′) formation from reaction of C(3Pj) with hydrogen sulfide, H2S(X... von Kaiser, R. I., Ochsenfeld, C., Head-Gordon, M., Lee, Y. T.

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Q-Chem 2.0: a high-performance ab initio electronic structure program package von Kong, Jing, White, Christopher A., Krylov, Anna I., Sherrill, David, Adamson, Ross D., Furlani, Thomas R., Lee, Michael S., Lee, Aaron M., Gwaltney, Steven R., Adams, Terry R., Ochsenfeld, Christian, Gilbert, Andrew T. B., Kedziora, Gary S., Rassolov, Vitaly A., Maurice, David R., Nair, Nikhil, Shao, Yihan, Besley, Nicholas A., Maslen, Paul E., Dombroski, Jeremy P., Daschel, Holger, Zhang, Weimin, Korambath, Prakashan P., Baker, Jon, Byrd, Edward F. C., Van Voorhis, Troy, Oumi, Manabu, Hirata, So, Hsu, Chao-Ping, Ishikawa, Naoto, Florian, Jan, Warshel, Arieh, Johnson, Benny G., Gill, Peter M. W., Head-Gordon, Martin, Pople, John A.

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[P sub(3)Se sub(4)] super(+): A Binary Phosphorus Selenium Cation von Feldmann, K-O, Wiegand, T, Ren, J, Eckert, H, Breternitz, J, Groh, M F, Mueller, U, Ruck, M, Maryasin, B, Ochsenfeld, C, Schon, O, Karaghiosoff, K, Weigand, J J

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Neutral-Neutral Reactions in the Interstellar Medium. II. Isotope Effects in the Formation of Linear and Cyclic C3H and C3D Radicals in Interstellar Environments von Kaiser, R. I, Ochsenfeld, C, Head-Gordon, M, Lee, Y. T

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