| Recent developments in the general atomic and molecular electronic structure system GMJ Barca, C Bertoni, L Carrington, D Datta, N De Silva, JE Deustua, ... The Journal of chemical physics 152 (15), 2020 | 876 | 2020 |
| The restricted active space self-consistent-field method, implemented with a split graph unitary group approach PÅ Malmqvist, A Rendell, BO Roos Journal of Physical Chemistry 94 (14), 5477-5482, 1990 | 793 | 1990 |
| Modeling nonlinear ultrasound propagation in heterogeneous media with power law absorption using a k-space pseudospectral method BE Treeby, J Jaros, AP Rendell, BT Cox The Journal of the Acoustical Society of America 131 (6), 4324-4336, 2012 | 535 | 2012 |
| Comparison of the quadratic configuration interaction and coupled-cluster approaches to electron correlation including the effect of triple excitations TJ Lee, AP Rendell, PR Taylor Journal of Physical Chemistry 94 (14), 5463-5468, 1990 | 356 | 1990 |
| Coupled‐cluster theory employing approximate integrals: An approach to avoid the input/output and storage bottlenecks AP Rendell, TJ Lee The Journal of chemical physics 101 (1), 400-408, 1994 | 220 | 1994 |
| Analytic gradients for coupled‐cluster energies that include noniterative connected triple excitations: Application to cis‐ and trans‐HONO TJ Lee, AP Rendell The Journal of chemical physics 94 (9), 6229-6236, 1991 | 208 | 1991 |
| The potassium channel: structure, selectivity and diffusion TW Allen, A Bliznyuk, AP Rendell, S Kuyucak, SH Chung The Journal of chemical physics 112 (18), 8191-8204, 2000 | 161 | 2000 |
| Use of SIMD vector operations to accelerate application code performance on low-powered ARM and Intel platforms G Mitra, B Johnston, AP Rendell, E McCreath, J Zhou 2013 IEEE International Symposium on Parallel & Distributed Processing …, 2013 | 127 | 2013 |
| The structure and energetics of the HCN→ HNC transition state TJ Lee, AP Rendell Chemical physics letters 177 (6), 491-497, 1991 | 124 | 1991 |
| PLEASE CITE THIS ARTIC LE AS DOI: 10.1063/5.0068530 M GMJ Barca, C Bertoni, L Carrington, D Datta, N De Silva, JE Deustua, ... Sosonkina, V. Sundriyal, A. Tiwari, JL Galvez Vallejo, B. Westheimer, M …, 2020 | 116 | 2020 |
| Gaussian 16, Revision A. 03, Gaussian, Inc, Wallingford, CtT MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... | 113 | 2016 |
| The validity of electrostatic predictions of the shapes of van der Waals dimers APL Rendell, GB Bacskay, NS Hush Chemical physics letters 117 (5), 400-408, 1985 | 109 | 1985 |
| Open‐shell restricted Hartree–Fock perturbation theory: Some considerations and comparisons TJ Lee, AP Rendell, KG Dyall, D Jayatilaka The Journal of chemical physics 100 (10), 7400-7409, 1994 | 106 | 1994 |
| Vibrational frequencies for Be3 and Be4 AP Rendell, TJ Lee, PR Taylor The Journal of Chemical Physics 92 (12), 7050-7056, 1990 | 103 | 1990 |
| Binding energies and bond distances of Ni(CO)x, x=1–4: An application of coupled‐cluster theory MRA Blomberg, PEM Siegbahn, TJ Lee, AP Rendell, JE Rice The Journal of chemical physics 95 (8), 5898-5905, 1991 | 98 | 1991 |
| Exploring thread and memory placement on NUMA architectures: Solaris and Linux, UltraSPARC/FirePlane and Opteron/HyperTransport J Antony, PP Janes, AP Rendell High Performance Computing-HiPC 2006: 13th International Conference …, 2006 | 97 | 2006 |
| A parallel vectorized implementation of triple excitations in CCSD (T): application to the binding energies of the AlH3, AlH2F, AlHF2 and AlF3 dimers AP Rendell, TJ Lee, A Komornicki Chemical physics letters 178 (5-6), 462-470, 1991 | 97 | 1991 |
| A parallel second-order Møller-Plesset gradient BGD FLETCHER, AP Rendell, P Sherwood Molecular Physics 91 (3), 431-438, 1997 | 96 | 1997 |
| An efficient formulation and implementation of the analytic energy gradient method to the single and double excitation coupled‐cluster wave function: Application to Cl2O2 AP Rendell, TJ Lee The Journal of chemical physics 94 (9), 6219-6228, 1991 | 96 | 1991 |
| Theoretical investigations of the structures and binding energies of Ben and Mgn(n=3–5) clusters TJ Lee, AP Rendell, PR Taylor The Journal of chemical physics 92 (1), 489-495, 1990 | 84 | 1990 |
