Alistair Rendell
Alistair Rendell
Executive Dean, College of Science and Engineering, Flinders University
Geverifieerd e-mailadres voor flinders.edu.au - Homepage
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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
5991990
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
3261990
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
3112012
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
1851991
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
1821994
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
1482000
The structure and energetics of the HCN→ HNC transition state
TJ Lee, AP Rendell
Chemical physics letters 177 (6), 491-497, 1991
1151991
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
1021994
Vibrational frequencies for Be3 and Be4
AP Rendell, TJ Lee, PR Taylor
The Journal of Chemical Physics 92 (12), 7050-7056, 1990
991990
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
961991
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
911991
A parallel second-order Møller-Plesset gradient
BGD FLETCHER, AP Rendell, P Sherwood
Molecular Physics 91 (3), 431-438, 1997
871997
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
861991
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
842013
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
842006
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
741990
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
711992
A direct coupled cluster algorithm for massively parallel computers
R Kobayashi, AP Rendell
Chemical Physics Letters 265 (1-2), 1-11, 1997
701997
Electrostatics for exploring hydration patterns of molecules. 3. Uracil
SR Gadre, K Babu, AP Rendell
The Journal of Physical Chemistry A 104 (39), 8976-8982, 2000
682000
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