Andrew G. Taube, Ph.D.
Affiliations: | 2008 | University of Florida, Gainesville, Gainesville, FL, United States |
Area:
Physical Chemistry, Molecular PhysicsGoogle:
"Andrew Taube"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Rodney J. Bartlett | grad student | 2008 | UF Gainesville | |
| (Developments in coupled-cluster theory gradients and potential energy surfaces.) | ||||
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Publications
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| Donchev AG, Taube AG, Decolvenaere E, et al. (2021) Quantum chemical benchmark databases of gold-standard dimer interaction energies. Scientific Data. 8: 55 |
| McGibbon RT, Taube AG, Donchev AG, et al. (2017) Improving the accuracy of Møller-Plesset perturbation theory with neural networks. The Journal of Chemical Physics. 147: 161725 |
| Taube AG. (2010) Communication: Constrained search formulation of the ground state energy as a functional of an idempotent one-matrix. The Journal of Chemical Physics. 133: 151102 |
| Taube AG. (2010) Alternative perturbation theories for triple excitations in coupled-cluster theory Molecular Physics. 108: 2951-2960 |
| Taube AG, Bartlett RJ. (2009) Rethinking linearized coupled-cluster theory. The Journal of Chemical Physics. 130: 144112 |
| Taube AG, Bartlett RJ. (2008) Frozen natural orbital coupled-cluster theory: forces and application to decomposition of nitroethane. The Journal of Chemical Physics. 128: 164101 |
| Taube AG, Bartlett RJ. (2008) Improving upon CCSD(T): LambdaCCSD(T). II. Stationary formulation and derivatives. The Journal of Chemical Physics. 128: 044111 |
| Taube AG, Bartlett RJ. (2008) Improving upon CCSD(T): LambdaCCSD(T). I. Potential energy surfaces. The Journal of Chemical Physics. 128: 044110 |
| Taube AG, Bartlett RJ. (2007) ΛCCSD(T) energies and forces: Improving upon CCSD(T) Aip Conference Proceedings. 963: 126-129 |
| Taube AG, Bartlett RJ. (2006) New perspectives on unitary coupled-cluster theory International Journal of Quantum Chemistry. 106: 3393-3401 |