X-ray Emission Spectroscopy Evidences a Central Carbon in the Nitrogenase Iron-Molybdenum Cofactor von Lancaster, Kyle M., Roemelt, Michael, Ettenhuber, Patrick, Hu, Yilin, Ribbe, Markus W., Neese, Frank, Bergmann, Uwe, DeBeer, Serena

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Efficient linear-scaling second-order Møller-Plesset perturbation theory: The divide–expand–consolidate RI-MP2 model von Baudin, Pablo, Ettenhuber, Patrick, Reine, Simen, Kristensen, Kasper, Kjærgaard, Thomas

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Vibrational ADAPT-VQE: Critical points lead to problematic convergence von Majland, Marco, Ettenhuber, Patrick, Zinner, Nikolaj Thomas, Christiansen, Ove

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Fermionic adaptive sampling theory for variational quantum eigensolvers von Majland, Marco, Ettenhuber, Patrick, Zinner, Nikolaj Thomas

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Discarding Information from Previous Iterations in an Optimal Way To Solve the Coupled Cluster Amplitude Equations von Ettenhuber, Patrick, Jørgensen, Poul

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Linear-Scaling Coupled Cluster with Perturbative Triple Excitations: The Divide–Expand–Consolidate CCSD(T) Model von Eriksen, Janus J, Baudin, Pablo, Ettenhuber, Patrick, Kristensen, Kasper, Kjærgaard, Thomas, Jørgensen, Poul

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Orbital spaces in the divide-expand-consolidate coupled cluster method von Ettenhuber, Patrick, Baudin, Pablo, Kjærgaard, Thomas, Jørgensen, Poul, Kristensen, Kasper

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Orbital spaces in the divide-expand-consolidate coupled cluster method von Ettenhuber, Patrick, Baudin, Pablo, Kjærgaard, Thomas, Jørgensen, Poul, Kristensen, Kasper

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Efficient linear-scaling second-order Møller-Plesset perturbation theory: The divide–expand–consolidate RI-MP2 model von Baudin, Pablo, Ettenhuber, Patrick, Reine, Simen, Kristensen, Kasper, Kjærgaard, Thomas

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The same number of optimized parameters scheme for determining intermolecular interaction energies von Kristensen, Kasper, Ettenhuber, Patrick, Eriksen, Janus Juul, Jensen, Frank, Jørgensen, Poul

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Massively parallel and linear-scaling algorithm for second-order Møller–Plesset perturbation theory applied to the study of supramolecular wires von Kjærgaard, Thomas, Baudin, Pablo, Bykov, Dmytro, Eriksen, Janus Juul, Ettenhuber, Patrick, Kristensen, Kasper, Larkin, Jeff, Liakh, Dmitry, Pawlowski, Filip, Vose, Aaron, Wang, Yang Min, Jørgensen, Poul

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Fermionic Adaptive Sampling Theory for Variational Quantum Eigensolvers von Majland, Marco, Ettenhuber, Patrick, Zinner, Nikolaj Thomas

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Vibrational ADAPT-VQE: Critical points leads to problematic convergence von Majland, Marco, Ettenhuber, Patrick, Zinner, Nikolaj Thomas, Christiansen, Ove

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Calculating the energy profile of an enzymatic reaction on a quantum computer von Ettenhuber, Patrick, Hansen, Mads Bøttger, Shaik, Irfansha, Rasmussen, Stig Elkjær, Poier, Pier Paolo, Madsen, Niels Kristian, Majland, Marco, Jensen, Frank, Olsen, Lars, Zinner, Nikolaj Thomas

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The D alton quantum chemistry program system von Aidas, Kestutis, Angeli, Celestino, Bak, Keld L., Bakken, Vebjørn, Bast, Radovan, Boman, Linus, Christiansen, Ove, Cimiraglia, Renzo, Coriani, Sonia, Dahle, Pål, Dalskov, Erik K., Ekström, Ulf, Enevoldsen, Thomas, Eriksen, Janus J., Ettenhuber, Patrick, Fernández, Berta, Ferrighi, Lara, Fliegl, Heike, Frediani, Luca, Hald, Kasper, Halkier, Asger, Hättig, Christof, Heiberg, Hanne, Helgaker, Trygve, Hennum, Alf Christian, Hettema, Hinne, Hjertenæs, Eirik, Høst, Stinne, Høyvik, Ida‐Marie, Iozzi, Maria Francesca, Jansík, Branislav, Jensen, Hans Jørgen Aa, Jonsson, Dan, Jørgensen, Poul, Kauczor, Joanna, Kirpekar, Sheela, Kjærgaard, Thomas, Klopper, Wim, Knecht, Stefan, Kobayashi, Rika, Koch, Henrik, Kongsted, Jacob, Krapp, Andreas, Kristensen, Kasper, Ligabue, Andrea, Lutnæs, Ola B., Melo, Juan I., Mikkelsen, Kurt V., Myhre, Rolf H., Neiss, Christian, Nielsen, Christian B., Norman, Patrick, Olsen, Jeppe, Olsen, Jógvan Magnus H., Osted, Anders, Packer, Martin J., Pawlowski, Filip, Pedersen, Thomas B., Provasi, Patricio F., Reine, Simen, Rinkevicius, Zilvinas, Ruden, Torgeir A., Ruud, Kenneth, Rybkin, Vladimir V., Sałek, Pawel, Samson, Claire C. M., de Merás, Alfredo Sánchez, Saue, Trond, Sauer, Stephan P. A., Schimmelpfennig, Bernd, Sneskov, Kristian, Steindal, Arnfinn H., Sylvester‐Hvid, Kristian O., Taylor, Peter R., Teale, Andrew M., Tellgren, Erik I., Tew, David P., Thorvaldsen, Andreas J., Thøgersen, Lea, Vahtras, Olav, Watson, Mark A., Wilson, David J. D., Ziolkowski, Marcin, Ågren, Hans

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SYSTEM AND METHOD FOR MODELLING MOLECULAR INTERACTIONS von MAJLAND, Marco, ZINNER, Nikolaj Thomas, ETTENHUBER, Patrick, RASMUSSEN, Stig Elkjær

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Vibrational ADAPT-VQE: Critical points leads to problematic convergence von Majland, Marco, Ettenhuber, Patrick, Zinner, Nikolaj Thomas, Christiansen, Ove

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Calculating the energy profile of an enzymatic reaction on a quantum computer von Ettenhuber, Patrick, Mads Bøttger Hansen, Shaik, Irfansha, Stig Elkjær Rasmussen, Poier, Pier Paolo, Madsen, Niels Kristian, Majland, Marco, Jensen, Frank, Olsen, Lars, Zinner, Nikolaj Thomas

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The Dalton quantum chemistry program system von Aidas, Kestutis, Angeli, Celestino, Bak, Keld L, Bakken, Vebjørn, Bast, Radovan, Boman, Linus, Christiansen, Ove, Cimiraglia, Renzo, Coriani, Sonja, Dahle, Pål, Dalskov, Erik K, Ekström, Ulf Egil, Enevoldsen, Thomas, Eriksen, Janus J, Ettenhuber, Patrick, Fernández, Berta, Ferrighi, Lara, Fliegl, Heike, Frediani, Luca, Hald, Kasper, Halkier, Asger, Hattig, Christof, Heiberg, Hanne, Helgaker, Trygve, Hennum, Alf Christian, Hettema, Hinne, Hjertenæs, Eirik, Høst, Stine, Høyvik, Ida Marie, Iozzi, Maria Francesca, Jansik, Brannislav, Jensen, Hans-Jørgen Aa, Jonsson, Dan Johan, Jørgensen, Poul, Kauczor, Johanna, Kirpekar, Sheela, Kjærgaard, Thomas, Klopper, Wim, Knecht, Stefan, Kobayashi, Rika, Koch, Henrik, Kongsted, Jacob, Krapp, Andreas, Kristensen, Kasper, Ligabue, Andrea, Lutnæs, Ola B, Melo, Juan I, Mikkelsen, Kurt V, Myhre, Rolf Heilemann, Neiss, Christian, Nielsen, Christian B, Norman, Patrick, Olsen, Jeppe, Olsen, Jogvan Magnus H, Osted, Anders, Packer, Martin J, Pawlowski, Filip, Pedersen, Thomas Bondo, Provasi, Patricio F, Reine, Simen Sommerfelt, Rinkevicius, Zilvinas, Ruden, Torgeir A, Ruud, Kenneth, Rybkin, Vladimir V, Salek, Pawel, Samson, Claire C. M, Sanchez de Meras, Alfredo, Saue, Trond, Sauer, Stephan P. A, Schimmelpfennig, Bernd, Sneskov, Kristian, Steindal, Arnfinn Hykkerud, Sylvester-Hvid, Kristian O, Taylor, Peter R, Teale, Andrew M, Tellgren, Erik, Tew, David P, Thorvaldsen, Andreas J, Thøgersen, Lea, Vahtras, Olav, Watson, Mark A, Wilson, David J. D, Ziolkowski, Marcin, Ågren, Hans

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