The Chronus Quantum software package von Williams‐Young, David B., Petrone, Alessio, Sun, Shichao, Stetina, Torin F., Lestrange, Patrick, Hoyer, Chad E., Nascimento, Daniel R., Koulias, Lauren, Wildman, Andrew, Kasper, Joseph, Goings, Joshua J., Ding, Feizhi, DePrince, A. Eugene, Valeev, Edward F., Li, Xiaosong

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Approximate Green’s Function Coupled Cluster Method Employing Effective Dimension Reduction von Peng, Bo, Van Beeumen, Roel, Williams-Young, David B, Kowalski, Karol, Yang, Chao

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Accurate Assignments of Excited-State Resonance Raman Spectra: A Benchmark Study Combining Experiment and Theory von Barclay, Matthew S, Quincy, Timothy J, Williams-Young, David B, Caricato, Marco, Elles, Christopher G

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Efficient Implementation of Variation after Projection Generalized Hartree–Fock von Lestrange, Patrick J, Williams-Young, David B, Petrone, Alessio, Jiménez-Hoyos, Carlos A, Li, Xiaosong

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Computing the Many-Body Green’s Function with Adaptive Variational Quantum Dynamics von Gomes, Niladri, Williams-Young, David B., de Jong, Wibe A.

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Solving Coupled Cluster Equations by the Newton Krylov Method von Yang, Chao, Brabec, Jiri, Veis, Libor, Williams-Young, David B, Kowalski, Karol

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A modular, composite framework for the utilization of reduced-scaling Coulomb and exchange construction algorithms: Design and implementation von Poole, David, Williams-Young, David B., Jiang, Andy, Glick, Zachary L., Sherrill, C. David

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An efficient implementation of two-component relativistic density functional theory with torque-free auxiliary variables von Petrone, Alessio, Williams-Young, David B., Sun, Shichao, Stetina, Torin F., Li, Xiaosong

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On the Efficient Evaluation of the Exchange Correlation Potential on Graphics Processing Unit Clusters von Williams-Young, David B., de Jong, Wibe A., van Dam, Hubertus J. J., Yang, Chao

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Protein Interactions Targeting the Latency-Associated Nuclear Antigen of Kaposi's Sarcoma-Associated Herpesvirus to Cell Chromosomes von Krithivas, Anita, Fujimuro, Masahiro, Weidner, Magdalena, Young, David B, Hayward, S Diane

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Accelerating Relativistic Exact-Two-Component Density Functional Theory Calculations with Graphical Processing Units von Kovtun, Mikael, Lambros, Eleftherios, Liu, Aodong, Tang, Diandong, Williams-Young, David B., Li, Xiaosong

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Generalized Hartree–Fock with Nonperturbative Treatment of Strong Magnetic Fields: Application to Molecular Spin Phase Transitions von Sun, Shichao, Williams-Young, David B, Stetina, Torin F, Li, Xiaosong

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Real-Time Krylov Theory for Quantum Computing Algorithms von Shen, Yizhi, Klymko, Katherine, Sud, James, Williams-Young, David B., Jong, Wibe A. de, Tubman, Norm M.

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Relativistic Real-Time Time-Dependent Equation-of-Motion Coupled-Cluster von Koulias, Lauren N, Williams-Young, David B, Nascimento, Daniel R, DePrince, A. Eugene, Li, Xiaosong

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Influence of Electronic Correlations on Electron–Phonon Interactions of Molecular Systems with the GW and Coupled Cluster Methods von Alvertis, Antonios M., Williams-Young, David B., Bruneval, Fabien, Neaton, Jeffrey B.

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Direct ab Initio (Meta-)Surface-Hopping Dynamics von Lingerfelt, David B, Williams-Young, David B, Petrone, Alessio, Li, Xiaosong

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Using Diffusion Maps to Analyze Reaction Dynamics for a Hydrogen Combustion Benchmark Dataset von Ko, Taehee, Heindel, Joseph P., Guan, Xingyi, Head-Gordon, Teresa, Williams-Young, David B., Yang, Chao

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Ab Initio Transient Vibrational Spectral Analysis von Petrone, Alessio, Lingerfelt, David B, Williams-Young, David B, Li, Xiaosong

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A parallel, distributed memory implementation of the adaptive sampling configuration interaction method von Williams-Young, David B., Tubman, Norm M., Mejuto-Zaera, Carlos, de Jong, Wibe A.

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From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape von Kowalski, Karol, Bair, Raymond, Bauman, Nicholas P, Boschen, Jeffery S, Bylaska, Eric J, Daily, Jeff, de Jong, Wibe A, Dunning, Thom, Govind, Niranjan, Harrison, Robert J, Keçeli, Murat, Keipert, Kristopher, Krishnamoorthy, Sriram, Kumar, Suraj, Mutlu, Erdal, Palmer, Bruce, Panyala, Ajay, Peng, Bo, Richard, Ryan M, Straatsma, T. P, Sushko, Peter, Valeev, Edward F, Valiev, Marat, van Dam, Hubertus J. J, Waldrop, Jonathan M, Williams-Young, David B, Yang, Chao, Zalewski, Marcin, Windus, Theresa L

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