Simulating X‐ray absorption spectra with complete active space self‐consistent field linear response methods von Helmich‐Paris, Benjamin

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Improving the Efficiency of Electrostatic Embedding Using the Fast Multipole Method von Colinet, Pauline, Neese, Frank, Helmich‐Paris, Benjamin

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A perturbation‐based super‐CI approach for the orbital optimization of a CASSCF wave function von Kollmar, Christian, Sivalingam, Kantharuban, Helmich‐Paris, Benjamin, Angeli, Celestino, Neese, Frank

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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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A trust-region augmented Hessian implementation for restricted and unrestricted Hartree–Fock and Kohn–Sham methods von Helmich-Paris, Benjamin

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Laplace-transformed multi-reference second-order perturbation theories in the atomic and active molecular orbital basis von Helmich-Paris, Benjamin, Knecht, Stefan

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CASSCF linear response calculations for large open-shell molecules von Helmich-Paris, Benjamin

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A trust-region augmented Hessian implementation for state-specific and state-averaged CASSCF wave functions von Helmich-Paris, Benjamin

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Benchmarks for Electronically Excited States with CASSCF Methods von Helmich-Paris, Benjamin

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Laplace-transformed atomic orbital-based Møller–Plesset perturbation theory for relativistic two-component Hamiltonians von Helmich-Paris, Benjamin, Repisky, Michal, Visscher, Lucas

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An improved chain of spheres for exchange algorithm von Helmich-Paris, Benjamin, de Souza, Bernardo, Neese, Frank, Izsák, Róbert

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Improvements on the minimax algorithm for the Laplace transformation of orbital energy denominators von Helmich-Paris, Benjamin, Visscher, Lucas

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Relativistic Cholesky-decomposed density matrix MP2 von Helmich-Paris, Benjamin, Repisky, Michal, Visscher, Lucas

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Extension of the D3 and D4 London dispersion corrections to the full actinides series von Wittmann, Lukas, Gordiy, Igor, Friede, Marvin, Helmich-Paris, Benjamin, Grimme, Stefan, Hansen, Andreas, Bursch, Markus

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Use of Lean response to improve pandemic influenza surge in public health laboratories von Isaac-Renton, Judith L, Chang, Yin, Prystajecky, Natalie, Petric, Martin, Mak, Annie, Abbott, Brendan, Paris, Benjamin, Decker, K C, Pittenger, Lauren, Guercio, Steven, Stott, Jeff, Miller, Joseph D

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TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations von Balasubramani, Sree Ganesh, Chen, Guo P., Coriani, Sonia, Diedenhofen, Michael, Frank, Marius S., Franzke, Yannick J., Furche, Filipp, Grotjahn, Robin, Harding, Michael E., Hättig, Christof, Hellweg, Arnim, Helmich-Paris, Benjamin, Holzer, Christof, Huniar, Uwe, Kaupp, Martin, Marefat Khah, Alireza, Karbalaei Khani, Sarah, Müller, Thomas, Mack, Fabian, Nguyen, Brian D., Parker, Shane M., Perlt, Eva, Rappoport, Dmitrij, Reiter, Kevin, Roy, Saswata, Rückert, Matthias, Schmitz, Gunnar, Sierka, Marek, Tapavicza, Enrico, Tew, David P., van Wüllen, Christoph, Voora, Vamsee K., Weigend, Florian, Wodyński, Artur, Yu, Jason M.

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Heating control schemes for energy management in buildings von Paris, Benjamin, Eynard, Julien, Grieu, Stéphane, Talbert, Thierry, Polit, Monique

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Hybrid PID-fuzzy control scheme for managing energy resources in buildings von Paris, Benjamin, Eynard, Julien, Grieu, Stéphane, Polit, Monique

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Circularly polarised fluorescence and phosphorescence calculations on organic molecules using the approximate coupled-cluster model CC2 von Badala Viswanatha, Chetana, Helmich-Paris, Benjamin, Hättig, Christof

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Correction to Spin-Free CC2 Implementation of Induced Transitions between Singlet Ground and Triplet Excited States von Helmich-Paris, Benjamin, Hättig, Christof, van Wüllen, Christoph

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