Quantum Chemistry at ANU
Papers of 1996
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58.
Advances in methodologies for linear-scaling density functional calculations
BG Johnson, CA White, Q Zhang, B Chen, RL Graham, PMW Gill, M Head-Gordon, in
Recent developments and applications of modern density functional theory
(Elsevier, Amsterdam, 1996)
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57.
A family of attenuated Coulomb operators
PMW Gill, RD Adamson
Chem Phys Lett
261 (1996) 105
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56.
A new gradient-corrected exchange functional
PMW Gill
Mol Phys
89 (1996) 433
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55.
Extraction of Stewart atoms from electron densities
PMW Gill
J Phys Chem
100 (1996) 15421
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54.
Coulomb-attenuated exchange energy density functionals
PMW Gill, RD Adamson, JA Pople
Mol Phys
88 (1996) 1005
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53.
Chemistry without Coulomb tails
RD Adamson, JP Dombroski, PMW Gill
Chem Phys Lett
254 (1996) 329
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52.
Linear scaling DFT calculations via the Continuous Fast Multipole Method
CA White, BG Johnson, PMW Gill, M Head-Gordon
Chem Phys Lett
253 (1996) 268
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51.
Density functional partitions
JA Pople, RD Adamson, PMW Gill
J Phys Chem
100 (1996) 6348
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50.
KWIK: Coulomb energies in O(N) work
JP Dombroski, RD Adamson, PMW Gill
J Phys Chem
100 (1996) 6272
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49.
Comment on "A generalized fast multipole approach for HF and DFT calculations"
CA White, BG Johnson, PMW Gill, M Head-Gordon
Chem Phys Lett
248 (1996) 482