Search Results - Thorvaldsen, Andreas J.

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  1. 1
    Arbitrary-Order Density Functional Response Theory from Automatic Differentiation

    Arbitrary-Order Density Functional Response Theory from Automatic Differentiation by Ekström, Ulf, Visscher, Lucas, Bast, Radovan, Thorvaldsen, Andreas J., Ruud, Kenneth

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  2. 2
    Theoretical approaches to the calculation of Raman optical activity spectra

    Theoretical approaches to the calculation of Raman optical activity spectra by Ruud, Kenneth, Thorvaldsen, Andreas J.

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  3. 3
    Analytic cubic and quartic force fields using density-functional theory

    Analytic cubic and quartic force fields using density-functional theory by Ringholm, Magnus, Jonsson, Dan, Bast, Radovan, Gao, Bin, Thorvaldsen, Andreas J, Ekström, Ulf, Helgaker, Trygve, Ruud, Kenneth

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  4. 4
    Efficient elimination of response parameters in molecular property calculations for variational and nonvariational energies

    Efficient elimination of response parameters in molecular property calculations for variational and nonvariational energies by Kristensen, Kasper, Jørgensen, Poul, Thorvaldsen, Andreas J., Helgaker, Trygve

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  5. 5
    A density matrix-based quasienergy formulation of the Kohn-Sham density functional response theory using perturbation- and time-dependent basis sets

    A density matrix-based quasienergy formulation of the Kohn-Sham density functional response theory using perturbation- and time-dependent basis sets by Thorvaldsen, Andreas J., Ruud, Kenneth, Kristensen, Kasper, Jørgensen, Poul, Coriani, Sonia

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  6. 6
    The ab initio calculation of molecular electric, magnetic and geometric properties

    The ab initio calculation of molecular electric, magnetic and geometric properties by Bast, Radovan, Ekström, Ulf, Gao, Bin, Helgaker, Trygve, Ruud, Kenneth, Thorvaldsen, Andreas J

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  7. 7
    Damped response theory description of two-photon absorption

    Damped response theory description of two-photon absorption by Kristensen, Kasper, Kauczor, Joanna, Thorvaldsen, Andreas J., Jørgensen, Poul, Kjærgaard, Thomas, Rizzo, Antonio

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  8. 8
    Analytic Density Functional Theory Calculations of Pure Vibrational Hyperpolarizabilities: The First Dipole Hyperpolarizability of Retinal and Related Molecules

    Analytic Density Functional Theory Calculations of Pure Vibrational Hyperpolarizabilities: The First Dipole Hyperpolarizability of Retinal and Related Molecules by Gao, Bin, Ringholm, Magnus, Bast, Radovan, Ruud, Kenneth, Thorvaldsen, Andreas J, Jaszuński, Michał

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  9. 9
    Analytic Calculations of Vibrational Hyperpolarizabilities in the Atomic Orbital Basis

    Analytic Calculations of Vibrational Hyperpolarizabilities in the Atomic Orbital Basis by Thorvaldsen, Andreas J, Ruud, Kenneth, Jaszuński, Michał

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  10. 10
    Gauge-origin independent calculations of Jones birefringence

    Gauge-origin independent calculations of Jones birefringence by Shcherbin, Dmitry, Thorvaldsen, Andreas J., Jonsson, Dan, Ruud, Kenneth

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  11. 11
    Correction to “Analytic Density-Functional Theory Calculations of Pure Vibrational Hyperpolarizabilities: The First Dipole Hyperpolarizability of Retinal and Related Molecules”

    Correction to “Analytic Density-Functional Theory Calculations of Pure Vibrational Hyperpolarizabilities: The First Dipole Hyperpolarizability of Retinal and Related Molecules” by Gao, Bin, Ringholm, Magnus, Bast, Radovan, Ruud, Kenneth, Thorvaldsen, Andreas J, Jaszuński, Michał

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  12. 12
    Gauge-Origin Independent Formulation and Implementation of Magneto-Optical Activity within Atomic-Orbital-Density Based Hartree−Fock and Kohn−Sham Response Theories

    Gauge-Origin Independent Formulation and Implementation of Magneto-Optical Activity within Atomic-Orbital-Density Based Hartree−Fock and Kohn−Sham Response Theories by Kjærgaard, Thomas, Jørgensen, Poul, Thorvaldsen, Andreas J, Sałek, Paweł, Coriani, Sonia

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  13. 13
    Variational response-function formulation of vibrational circular dichroism

    Variational response-function formulation of vibrational circular dichroism by Coriani, Sonia, Thorvaldsen, Andreas J, Kristensen, Kasper, Jørgensen, Poul

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  14. 14
    Analytical calculations of frequency-dependent hypermagnetizabilities and Cotton-Mouton constants using London atomic orbitals

    Analytical calculations of frequency-dependent hypermagnetizabilities and Cotton-Mouton constants using London atomic orbitals by Thorvaldsen, Andreas J, Ruud, Kenneth, Rizzo, Antonio, Coriani, Sonia

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  15. 15
    Comparison of standard and damped response formulations of magnetic circular dichroism

    Comparison of standard and damped response formulations of magnetic circular dichroism by Kjærgaard, Thomas, Kristensen, Kasper, Kauczor, Joanna, Jørgensen, Poul, Coriani, Sonia, Thorvaldsen, Andreas J.

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  16. 16
    The aqueous Raman optical activity spectra of 4(R)-hydroxyproline: theory and experiment

    The aqueous Raman optical activity spectra of 4(R)-hydroxyproline: theory and experiment by Pecul, Magdalena, Deillon, Christine, Thorvaldsen, Andreas J., Ruud, Kenneth

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  17. 17
    Efficient Calculation of ROA Tensors with Analytical Gradients and Fragmentation

    Efficient Calculation of ROA Tensors with Analytical Gradients and Fragmentation by Thorvaldsen, Andreas J., Gao, Bin, Ruud, Kenneth, Fedorovsky, Maxim, Zuber, Gérard, Hug, Werner

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  18. 18
    Analytic ab initio calculations of coherent anti-Stokes Raman scattering (CARS)

    Analytic ab initio calculations of coherent anti-Stokes Raman scattering (CARS) by THORVALDSEN, Andreas J, FERRIGHI, Lara, RUUD, Kenneth, AGREN, Hans, CORIANI, Sonia, JØRGENSEN, Poul

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  19. 19
    Analytic calculations of nonlinear mixed electric and magnetic frequency-dependent molecular properties using London atomic orbitals : Buckingham birefringence

    Analytic calculations of nonlinear mixed electric and magnetic frequency-dependent molecular properties using London atomic orbitals : Buckingham birefringence by SHCHERBIN, Dmitry, THORVALDSEN, Andreas J, RUUD, Kenneth, CORIANI, Sonia, RIZZO, Antonio

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  20. 20
    Hyper Raman spectra calculated in a time-dependent Hartree-Fock method

    Hyper Raman spectra calculated in a time-dependent Hartree-Fock method by Mohammed, Abdelsalam, Ågren, Hans, Ringholm, Magnus, Thorvaldsen, Andreas J., Ruud, Kenneth

    Published in Molecular physics
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