32 citations · 32 across the 1 of their papers we have counts for
3 papers
quant-ph2020★ 32 cited
Improving the accuracy of quantum computational chemistry using the transcorrelated method
Sam McArdle, David P. Tew
Accurately treating electron correlation in the wavefunction is a key challenge for both classical and quantum computational chemistry. Classical methods have been developed which…
physics.chem-ph2019
Similarity transformation of the electronic Schrödinger equation via Jastrow factorisation
Aron J. Cohen, Hongjun Luo, Kai Guther +3
By expressing the electronic wavefunction in an explicitly-correlated (Jastrow-factorised) form, a similarity-transformed effective Hamiltonian can be derived. The effective Hamilt…
physics.chem-ph2019
Efficient and accurate description of adsorption in zeolites
Jiří Klimeš, David P. Tew
Accurate theoretical methods are needed to correctly describe adsorption on solid surfaces or in porous materials. The random phase approximation with singles corrections scheme (R…