Quantum Chemistry at ANU
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Papers of 2018
Recurrence relations for four-electron integrals over Gaussian basis functions
GMJ Barca, PF Loos
Adv Quantum Chem
76 (2018) 147
185.
An efficient method for calculating effective core potential integrals
SC McKenzie, E Epifanovsky, GMJ Barca, ATB Gilbert, PMW Gill
J Phys Chem A
122 (2018) 3066
184.
Simple models for difficult electronic excitations
GMJ Barca, ATB Gilbert, PMW Gill
J Chem Theory Comput
14 (2018) 1501
183.
The excitation number: characterising multiply-excited states
GMJ Barca, ATB Gilbert, PMW Gill
J Chem Theory Comput
14 (2018) 9