Alistair Rendell
Alistair Rendell
Professor, Research School of Computer Science, Australian National University
Verified email at anu.edu.au - Homepage
TitleCited byYear
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
5281990
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
3191990
Gaussian 09 Package Reference
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian Inc. Wallingford CT, 2009
2632009
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
2492012
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
1821991
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
1691994
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
1462000
The structure and energetics of the HCN→ HNC transition state
TJ Lee, AP Rendell
Chemical physics letters 177 (6), 491-497, 1991
1121991
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
1041985
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
1031994
Vibrational frequencies for Be3 and Be4
AP Rendell, TJ Lee, PR Taylor
The Journal of Chemical Physics 92 (12), 7050-7056, 1990
1021990
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
931991
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
901991
A parallel second-order Møller-Plesset gradient
BGD FLETCHER, AP Rendell, P Sherwood
Molecular Physics 91 (3), 431-438, 1997
861997
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
841991
Exploring thread and memory placement on NUMA architectures: Solaris and Linux, UltraSPARC/FirePlane and Opteron/HyperTransport
J Antony, PP Janes, AP Rendell
International Conference on High-Performance Computing, 338-352, 2006
802006
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
761990
Liquid water: obtaining the right answer for the right reasons
E Aprà, AP Rendell, RJ Harrison, V Tipparaju, WA deJong, SS Xantheas
Proceedings of the conference on high performance computing networking …, 2009
742009
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
722013
Quantum chemistry on parallel computer architectures: Coupled-cluster theory applied to the bending potential of fulminic acid
AP Rendell, TJ Lee, R Lindh
Chemical physics letters 194 (1-2), 84-94, 1992
691992
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Articles 1–20