Transcorrelation

The transcorrelated method (TC) is an explicitly-correlated quantum chemistry method that uses a so-called Jastrow factor to similarity-transform the electronic Hamiltonian. Doing this removes unfavourable (Kato) cusps in the wave function, thereby substantially accelerating toward the complete-basis set limit, making high-accuracy calculations much more tractable. My work in TC has resulted in 2 published papers, with another 6 in preparation.

Due to a variety of challenges (both in and out of my control), these have taken a long time to complete, but the projects are moving at a much faster pace now. However, I strive to produce high-quality, high-impact work, which naturally takes more time. For more details (e.g. what the method actually does), please see my dissertation.