Search Results - Schnack‐Petersen, Anna Kristina

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  1. 1
    RPA(D) and HRPA(D): Two new models for calculations of NMR indirect nuclear spin–spin coupling constants

    RPA(D) and HRPA(D): Two new models for calculations of NMR indirect nuclear spin–spin coupling constants by Schnack‐Petersen, Anna Kristina, Haase, Pi A. B., Faber, Rasmus, Provasi, Patricio F., Sauer, Stephan P. A.

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  2. 2
    Azobenzene photoisomerization dynamics: Revealing the key degrees of freedom and the long timescale of the trans-to-cis process

    Azobenzene photoisomerization dynamics: Revealing the key degrees of freedom and the long timescale of the trans-to-cis process by Schnack-Petersen, Anna Kristina, Pápai, Mátyás, Møller, Klaus Braagaard

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  3. 3
    New Implementation of an Equation-of-Motion Coupled-Cluster Damped-Response Framework with Illustrative Applications to Resonant Inelastic X‑ray Scattering

    New Implementation of an Equation-of-Motion Coupled-Cluster Damped-Response Framework with Illustrative Applications to Resonant Inelastic X‑ray Scattering by Schnack-Petersen, Anna Kristina, Moitra, Torsha, Folkestad, Sarai Dery, Coriani, Sonia

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  4. 4
    Efficient implementation of molecular CCSD gradients with Cholesky-decomposed electron repulsion integrals

    Efficient implementation of molecular CCSD gradients with Cholesky-decomposed electron repulsion integrals by Schnack-Petersen, Anna Kristina, Koch, Henrik, Coriani, Sonia, Kjønstad, Eirik F.

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  5. 5
    The Second-Order-Polarization-Propagator-Approximation (SOPPA) in a four-component spinor basis

    The Second-Order-Polarization-Propagator-Approximation (SOPPA) in a four-component spinor basis by Schnack-Petersen, Anna Kristina, Simmermacher, Mats, Fasshauer, Elke, Jensen, Hans Jørgen Aa, Sauer, Stephan P. A.

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  6. 6
    Core spectroscopy of oxazole

    Core spectroscopy of oxazole by Schnack-Petersen, Anna Kristina, Tenorio, Bruno Nunes Cabral, Coriani, Sonia, Decleva, Piero, Troß, Jan, Ramasesha, Krupa, Coreno, Marcello, Totani, Roberta, Röder, Anja

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  7. 7
    RPA(D) and HRPA(D): calculation of carbon-carbon spin-spin coupling constants for saturated cycloalkanes

    RPA(D) and HRPA(D): calculation of carbon-carbon spin-spin coupling constants for saturated cycloalkanes by Møller, Christoffer H. S., Schnack-Petersen, Anna Kristina, Sauer, Stephan P. A.

    Published in Molecular physics
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  8. 8
    A theoretical study of the time-resolved x-ray absorption spectrum of the photoionized BT-1T cation

    A theoretical study of the time-resolved x-ray absorption spectrum of the photoionized BT-1T cation by Schnack-Petersen, Anna Kristina, Pápai, Mátyás, Coriani, Sonia, Møller, Klaus Braagaard

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  9. 9
    New Implementation of an Equation-of-Motion Coupled-Cluster Damped-Response Framework with Illustrative Applications to Resonant Inelastic X-ray Scattering

    New Implementation of an Equation-of-Motion Coupled-Cluster Damped-Response Framework with Illustrative Applications to Resonant Inelastic X-ray Scattering by Schnack-Petersen, Anna Kristina, Moitra, Torsha, Sarai Dery Folkestad, Coriani, Sonia

    Published in arXiv.org
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  10. 10
    Efficient implementation of molecular CCSD gradients with Cholesky-decomposed electron repulsion integrals

    Efficient implementation of molecular CCSD gradients with Cholesky-decomposed electron repulsion integrals by Schnack-Petersen, Anna Kristina, Koch, Henrik, Coriani, Sonia, Kjønstad, Eirik F

    Published in arXiv.org
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