Alistair Rendell
Alistair Rendell
Executive Dean, College of Science and Engineering, Flinders University
Verified email at - Homepage
Cited by
Cited by
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
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), 154102, 2020
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
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
Farkas, JB Foresman, JV Ortiz, J. Cioslowski and DJ Fox
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian 09 Revision A 1, 2009
Gaussian, revision B
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian Inc, Pittsburgh, 2009
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
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
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
The structure and energetics of the HCN→ HNC transition state
TJ Lee, AP Rendell
Chemical physics letters 177 (6), 491-497, 1991
Gaussian 09, B. 1. Gaussian
MJ Frisch, GW Trucks, HB Schlegel, MA Robb, JR Cheeseman, ...
Inc., Pittsburgh, PA, 2009
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
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
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
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
MJ Frisch, HB Schlegel, GE Scuseria, MA Robb, JR Cheeseman, ...
Schlegel, HB, 2016
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
Vibrational frequencies for Be3 and Be4
AP Rendell, TJ Lee, PR Taylor
The Journal of Chemical Physics 92 (12), 7050-7056, 1990
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
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
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