Local MP2 by Pulay and Saebo¶
Convergence¶
The study of how the amplitude error decreases with iterations.
(Source code, png, hires.png, pdf)
Complexity¶
The study of how the calculation time scales with the model increase. The expected problem complexity in conventional MP2 is \(O(N^5)\) while this implementation of local MP2 should scale as \(O(N^3)\) where \(N\) is the number of atoms in the system.
(Source code, png, hires.png, pdf)
Errors in MP2 energies¶
Energies obtained with LMP2 compared to conventional MP2.
(Source code, png, hires.png, pdf)
