
Quantum Chemistry at ANU
Papers of 2015
-
Accurate electron densities at nuclei using small ramp-gaussian basis sets
LK McKemmish, ATB Gilbert
J Chem Theory Comput
11 (2015) 3679
-
Efficient calculation of integrals mixed ramp-Gaussian basis sets
LK McKemmish
J Chem Phys
142 (2015) 134104
-
Nodal surfaces and interdimensional degeneracies
PF Loos, D Bressanini
J Chem Phys
142 (2015) 214112
-
178.
Three-electron coalescence points in two and three dimensions
PF Loos, NJ Bloomfield, PMW Gill
J Chem Phys (Communication)
143 (2015) 181101
-
177.
Uniform electron gases. III. Low-density gases on three-dimensional spheres
D Agboola, AL Knol, PMW Gill, PF Loos
J Chem Phys
143 (2015) 084114
-
176.
Chem1D: A software package for electronic structure calculations on one-dimensional systems
CJ Ball, PMW Gill
Mol Phys
113 (2015) 1843
-
175.
MP2[V] - A simple approximation to second-order Møller-Plesset perturbation theory
J Deng, ATB Gilbert, PMW Gill
J Chem Theory Comput
11 (2015) 1639
-
174.
Chemistry in one dimension
PF Loos, CJ Ball, PMW Gill
Phys Chem Chem Phys
17 (2015) 3196
-
173.
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, ..., JM Herbert, AI Krylov, PMW Gill, M Head-Gordon
Mol Phys
113 (2015) 184