Rethinking linearized coupled-cluster theory von Taube, Andrew G., Bartlett, Rodney J.

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Quantum chemical benchmark databases of gold-standard dimer interaction energies von Donchev, Alexander G., Taube, Andrew G., Decolvenaere, Elizabeth, Hargus, Cory, McGibbon, Robert T., Law, Ka-Hei, Gregersen, Brent A., Li, Je-Luen, Palmo, Kim, Siva, Karthik, Bergdorf, Michael, Klepeis, John L., Shaw, David E.

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Improving the accuracy of Møller-Plesset perturbation theory with neural networks von McGibbon, Robert T., Taube, Andrew G., Donchev, Alexander G., Siva, Karthik, Hernández, Felipe, Hargus, Cory, Law, Ka-Hei, Klepeis, John L., Shaw, David E.

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New perspectives on unitary coupled-cluster theory von Taube, Andrew G., Bartlett, Rodney J.

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Frozen natural orbital coupled-cluster theory: forces and application to decomposition of nitroethane von Taube, Andrew G, Bartlett, Rodney J

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Communication: Constrained search formulation of the ground state energy as a functional of an idempotent one-matrix von Taube, Andrew G.

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Improving upon CCSD(T): Λ CCSD ( T ) . I. Potential energy surfaces von Taube, Andrew G., Bartlett, Rodney J.

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Improving upon CCSD(T): ΛCCSD(T). II. Stationary formulation and derivatives von Taube, Andrew G., Bartlett, Rodney J.

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Improving the accuracy of Møller-Plesset perturbation theory with neuralnetworks von McGibbon, Robert T, Taube, Andrew G, Donchev, Alexander G, Siva Karthik, Hernández, Felipe, Hargus Cory, Ka-Hei, Law, Klepeis, John L

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An application system for automation of constant-time radio frequency electron paramagnetic resonance imaging von Taube, Andrew G, Subramanian, Sankaran, Murugesan, Ramachandran, Devasahayam, Nallathamby, Mitchell, James B, Krishna, Murali C, Cook, John A

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Frozen natural orbital coupled-cluster theory: Forces and applicationto decomposition of nitroethane von Taube, Andrew G., Bartlett, Rodney J.

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Improving upon CCSD(T): Λ CCSD ( T ) . II. Stationary formulationand derivatives von Taube, Andrew G., Bartlett, Rodney J.

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Improving upon CCSD(T): LambdaCCSD(T). II. Stationary formulation and derivatives von Taube, Andrew G, Bartlett, Rodney J

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Improving upon CCSD(T): LambdaCCSD(T). I. Potential energy surfaces von Taube, Andrew G, Bartlett, Rodney J

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ACCSD(T) Energies and Forces: Improving Upon CCSD(T) von Taube, Andrew G, Bartlett, Rodney J

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Efficient hyperparameter optimization by way of PAC-Bayes bound minimization von Cherian, John J, Taube, Andrew G, McGibbon, Robert T, Angelikopoulos, Panagiotis, Blanc, Guy, Snarski, Michael, Richman, Daniel D, Klepeis, John L, Shaw, David E

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Efficient hyperparameter optimization by way of PAC-Bayes bound minimization von Cherian, John J, Taube, Andrew G, McGibbon, Robert T, Angelikopoulos, Panagiotis, Blanc, Guy, Snarski, Michael, Richman, Daniel D, Klepeis, John L, Shaw, David E

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DES15K von Donchev, Alexander G, Taube, Andrew G, Decolvenaere, Elizabeth, Hargus, Cory, McGibbon, Robert T., Law, Ka-Hei, Gregersen, Brent A, Li, Je-Leun, Palmo, Kim, Siva, Karthik, Bergdorf, Michael, Klepeis, John L, Shaw, David E

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DES5M von Donchev, Alexander G, Taube, Andrew G, Decolvenaere, Elizabeth, Hargus, Cory, McGibbon, Robert T, Law, Ka-Hei, Gregersen, Brent A, Je-Leun, Li, Palmo, Kim, Siva. Karthik, Bergdorf, Michael, Klepeis. John L, Shaw, David E

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DESS66 and DESS66x8 von Donchev, Alexander G, Taube, Andrew G, Decolvenaere, Elizabeth, Hargus, Cory, McGibbon, Robert, Law, Ka-Hei, Gregersen, Brent A, Li, Je-Leun, Palmo, Kim, Siva, Karthik, Bergdorf, Michael, Klepeis, John L, Shaw, David E

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