Quantum Chemistry at ANU
Papers of 2013
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Effective fragment potential method in Q-Chem: A guide for users and developers
D Ghosh, D Kosenkov, V Vanovschi, J Flick, I Kaliman, Y Shao, ATB Gilbert, AI Krylov, LV Slipchenko
J Comput Chem
34 (2013) 1060
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High-density correlation energy expansion of the one-dimensional uniform electron gas
PF Loos
J Chem Phys
138 (2013) 064108
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166.
Distribution of r12 ยท p12 in quantum systems
YA Bernard, PF Loos, PMW Gill
Mol Phys
111 (2013) 2414
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165.
Uniform electron gases. I. Electrons on a ring
PF Loos, PMW Gill
J Chem Phys
138 (2013) 164124
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164.
Resolutions of the Coulomb Operator: VII. Evaluation of long-range Coulomb and exchange matrices
T Limpanuparb, J Milthorpe, AP Rendell, PMW Gill
J Chem Theory Comput
9 (2013) 863
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163.
Q-Chem: An engine for innovation
AI Krylov, PMW Gill
WIREs Comput Mol Sci
3 (2013) 317