
Quantum Chemistry at ANU
Papers of 1993
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39.
Isomers of C20. Dramatic effect of gradient corrections in density functional theory
K Raghavachari, DL Strout, GK Odom, GE Scuseria, JA Pople, BG Johnson, PMW Gill
Chem Phys Lett
214 (1993) 357
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38.
A standard grid for density functional calculations
PMW Gill, BG Johnson, JA Pople
Chem Phys Lett
209 (1993) 506
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37.
The performance of a family of density functional methods
BG Johnson, PMW Gill, JA Pople
J Chem Phys
98 (1993) 5612
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36.
Computing molecular electrostatic potentials with the PRISM algorithm
BG Johnson, PMW Gill, JA Pople, DJ Fox
Chem Phys Lett
206 (1993) 239
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35.
The efficient transformation of (m0|n0) to (ab|cd) two-electron repulsion integrals
BG Johnson, PMW Gill, JA Pople
Chem Phys Lett
206 (1993) 229
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34.
An improved criterion for evaluating the efficiency of two-electron integral algorithms
MJ Frisch, BG Johnson, PMW Gill, DJ Fox, RH Nobes
Chem Phys Lett
206 (1993) 225
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33.
Exact exchange functional for the hydrogen atom
PMW Gill, JA Pople
Phys Rev A
47 (1993) 2383