Australian National UniversityQuantum Chemistry at ANU
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Papers of 2015

  1. Accurate electron densities at nuclei using small ramp-gaussian basis sets LK McKemmish, ATB Gilbert J Chem Theory Comput 11 (2015) 3679
  2. Efficient calculation of integrals mixed ramp-Gaussian basis sets LK McKemmish J Chem Phys 142 (2015) 134104
  3. Nodal surfaces and interdimensional degeneracies PF Loos, D Bressanini J Chem Phys 142 (2015) 214112
  4. 178. Three-electron coalescence points in two and three dimensions PF Loos, NJ Bloomfield, PMW Gill J Chem Phys (Communication) 143 (2015) 181101
  5. 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
  6. 176. Chem1D: A software package for electronic structure calculations on one-dimensional systems CJ Ball, PMW Gill Mol Phys 113 (2015) 1843
  7. 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
  8. 174. Chemistry in one dimension PF Loos, CJ Ball, PMW Gill Phys Chem Chem Phys 17 (2015) 3196
  9. 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