1.3k citations · 2.9k across the 14 of their papers we have counts for
16 papers
Optimizing Jastrow factors for the transcorrelated method
J. Philip Haupt, Seyed Mohammadreza Hosseini, Pablo Lopez Rios +3
We investigate the optimization of flexible tailored real-space Jastrow factors for use in the transcorrelated (TC) method in combination with highly accurate quantum chemistry met…
Performance of a one-parameter correlation factor for transcorrelation: the Li-Ne total energies and ionization potentials
Werner Dobrautz, Aron J. Cohen, Ali Alavi +1
In this work we investigate the performance of a recently proposed transcorrelated (TC) approach based on a single-parameter correlation factor [JCP, 154, 8, 2021] for systems invo…
Transcorrelated coupled cluster methods
Thomas Schraivogel, Aron J. Cohen, Ali Alavi +1
Transcorrelated coupled cluster and distinguishable cluster methods are presented. The Hamiltonian is similarity transformed with a Jastrow factor in the first quantisation, which…
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…
Fermionic statistics in the strongly correlated limit of Density Functional Theory
Juri Grossi, Derk P. Kooi, Klaas J. H. Giesbertz +4
Exact pieces of information on the adiabatic connection integrand , which allows to evaluate the exchange-correlation energy of Kohn-Sham density functional theory, can be…
Exact density functional obtained via the Levy constrained search
Paula Mori-Sánchez, Aron J. Cohen
A stochastic minimization method for a real-space wavefunction, , constrained to a chosen density, , is developed. It enabl…