Relativistic Hamiltonians for Chemistry: A Primer von Saue, Trond

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An infinite-order two-component relativistic Hamiltonian by a simple one-step transformation von Ilias, Miroslav, Saue, Trond

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4-component relativistic Hamiltonian with effective QED potentials for molecular calculations von Sunaga, Ayaki, Salman, Maen, Saue, Trond

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Equation-of-motion coupled-cluster theory based on the 4-component Dirac–Coulomb(–Gaunt) Hamiltonian. Energies for single electron detachment, attachment, and electronically excite... von Shee, Avijit, Saue, Trond, Visscher, Lucas, Severo Pereira Gomes, André

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Analytic one-electron properties at the 4-component relativistic coupled cluster level with inclusion of spin-orbit coupling von Shee, Avijit, Visscher, Lucas, Saue, Trond

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Exact two-component Hamiltonians for relativistic quantum chemistry: Two-electron picture-change corrections made simple von Knecht, Stefan, Repisky, Michal, Jensen, Hans Jørgen Aagaard, Saue, Trond

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Transition moments beyond the electric-dipole approximation: Visualization and basis set requirements von van Horn, Martin, List, Nanna Holmgaard, Saue, Trond

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The DIRAC code for relativistic molecular calculations von Saue, Trond, Bast, Radovan, Gomes, André Severo Pereira, Jensen, Hans Jørgen Aa, Visscher, Lucas, Aucar, Ignacio Agustín, Di Remigio, Roberto, Dyall, Kenneth G., Eliav, Ephraim, Fasshauer, Elke, Fleig, Timo, Halbert, Loïc, Hedegård, Erik Donovan, Helmich-Paris, Benjamin, Iliaš, Miroslav, Jacob, Christoph R., Knecht, Stefan, Laerdahl, Jon K., Vidal, Marta L., Nayak, Malaya K., Olejniczak, Małgorzata, Olsen, Jógvan Magnus Haugaard, Pernpointner, Markus, Senjean, Bruno, Shee, Avijit, Sunaga, Ayaki, van Stralen, Joost N. P.

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The molecular mean-field approach for correlated relativistic calculations von Sikkema, Jetze, Visscher, Lucas, Saue, Trond, Iliaš, Miroslav

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Approximate relativistic electronic structure methods based on the quaternion modified Dirac equation von Visscher, Lucas, Saue, Trond

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Probing chirality across the electromagnetic spectrum with the full semi-classical light–matter interaction von van Horn, Martin, Saue, Trond, List, Nanna Holmgaard

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A simple scheme for magnetic balance in four-component relativistic Kohn-Sham calculations of nuclear magnetic resonance shielding constants in a Gaussian basis von Olejniczak, Małgorzata, Bast, Radovan, Saue, Trond, Pecul, Magdalena

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Electron correlation within the relativistic no-pair approximation von Almoukhalalati, Adel, Knecht, Stefan, Jensen, Hans Jørgen Aa, Dyall, Kenneth G., Saue, Trond

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Beyond the electric-dipole approximation in simulations of x-ray absorption spectroscopy: Lessons from relativistic theory von List, Nanna Holmgaard, Melin, Timothé Romain Léo, van Horn, Martin, Saue, Trond

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Nuclear size effects in vibrational spectra von Almoukhalalati, Adel, Shee, Avijit, Saue, Trond

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Parity nonconservation contribution to the nuclear magnetic resonance shielding constants of chiral molecules: A four-component relativistic study von Bast, Radovan, Schwerdtfeger, Peter, Saue, Trond

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Beyond the electric-dipole approximation: A formulation and implementation of molecular response theory for the description of absorption of electromagnetic field radiation von List, Nanna Holmgaard, Kauczor, Joanna, Saue, Trond, Jensen, Hans Jørgen Aagaard, Norman, Patrick

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Quadratic response functions in the relativistic four-component Kohn-Sham approximation von Henriksson, Johan, Saue, Trond, Norman, Patrick

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Progress toward the first observation of parity violation in chiral molecules by high-resolution laser spectroscopy von Darquié, Benoît, Stoeffler, Clara, Shelkovnikov, Alexander, Daussy, Christophe, Amy-Klein, Anne, Chardonnet, Christian, Zrig, Samia, Guy, Laure, Crassous, Jeanne, Soulard, Pascale, Asselin, Pierre, Huet, Thérèse R., Schwerdtfeger, Peter, Bast, Radovan, Saue, Trond

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Four-component relativistic Kohn-Sham theory von Saue, Trond, Helgaker, Trygve

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