Quantum Chemistry at ANU
Papers of 2014
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Generalized local-density approximation and one-dimensional finite uniform electron gases
PF Loos
Phys Rev A
89 (2014) 052523
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172.
Basis functions for electronic structure calculations on spheres
PMW Gill, PF Loos, D Agboola
J Chem Phys
141 (2014) 244102
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171.
Mixed ramp-gaussian basis sets
LK McKemmish, ATB Gilbert, PMW Gill
J Chem Theory Comput
10 (2014) 4369
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170.
Hartree-Fock description of excited states of H2
GMJ Barca, ATB Gilbert, PMW Gill
J Chem Phys (Communication)
141 (2014) 111104
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169.
Performance of DFT procedures for the calculation of proton-exchange barriers: Unusual behavior of M06-type functionals
B Chan, ATB Gilbert, PMW Gill, L Radom
J Chem Theory Comput
10 (2014) 3777
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168.
Uniform electron gases. II. The generalized local density approximation in one dimension
PF Loos, CJ Ball, PMW Gill
J Chem Phys
140 (2014) 18A524
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167.
Exact wave functions for concentric two-electron systems
PF Loos, PMW Gill
Phys Lett A
378 (2014) 329