Towards the solution of the many-electron problem in real materials: Equation of state of the hydrogen chain with state-of-the-art many-body methods M Motta, DM Ceperley, GKL Chan, JA Gomez, E Gull, S Guo, ... Physical Review X 7 (3), 031059, 2017 | 269 | 2017 |
The density matrix renormalization group self-consistent field method: Orbital optimization with the density matrix renormalization group method in the active space D Zgid, M Nooijen The Journal of chemical physics 128 (14), 2008 | 219 | 2008 |
Dynamical mean-field theory from a quantum chemical perspective D Zgid, GK Chan The Journal of chemical physics 134 (9), 2011 | 159 | 2011 |
Truncated configuration interaction expansions as solvers for correlated quantum impurity models and dynamical mean-field theory D Zgid, E Gull, GKL Chan Physical Review B—Condensed Matter and Materials Physics 86 (16), 165128, 2012 | 147 | 2012 |
Communication: The description of strong correlation within self-consistent Green's function second-order perturbation theory JJ Phillips, D Zgid The Journal of chemical physics 140 (24), 2014 | 133 | 2014 |
On the spin and symmetry adaptation of the density matrix renormalization group method D Zgid, M Nooijen The Journal of chemical physics 128 (1), 2008 | 120 | 2008 |
Systematically improvable multiscale solver for correlated electron systems AA Kananenka, E Gull, D Zgid Physical Review B 91 (12), 121111, 2015 | 111 | 2015 |
Direct comparison of many-body methods for realistic electronic Hamiltonians KT Williams, Y Yao, J Li, L Chen, H Shi, M Motta, C Niu, U Ray, S Guo, ... Physical Review X 10 (1), 011041, 2020 | 108 | 2020 |
Low-temperature collisions of NH (X 3 Σ−) molecules with He atoms in a magnetic field: An ab initio study RV Krems, HR Sadeghpour, A Dalgarno, D Zgid, J Kłos, G Chałasiński Physical Review A 68 (5), 051401, 2003 | 107 | 2003 |
Self-consistent second-order Green’s function perturbation theory for periodic systems AA Rusakov, D Zgid The Journal of chemical physics 144 (5), 2016 | 105 | 2016 |
Communication: Towards ab initio self-energy embedding theory in quantum chemistry TN Lan, AA Kananenka, D Zgid The Journal of chemical physics 143 (24), 2015 | 103 | 2015 |
The density matrix renormalization group in quantum chemistry GKL Chan, D Zgid Annual Reports in Computational Chemistry 5, 149-162, 2009 | 99 | 2009 |
A study of cumulant approximations to n-electron valence multireference perturbation theory D Zgid, D Ghosh, E Neuscamman, GK Chan The Journal of chemical physics 130 (19), 2009 | 97 | 2009 |
Obtaining the two-body density matrix in the density matrix renormalization group method D Zgid, M Nooijen The Journal of chemical physics 128 (14), 2008 | 96 | 2008 |
Finite temperature quantum embedding theories for correlated systems D Zgid, E Gull New Journal of Physics 19 (2), 023047, 2017 | 93 | 2017 |
Self-energy embedding theory (SEET) for periodic systems AA Rusakov, S Iskakov, L Tran Nguyen, D Zgid Journal of chemical theory and computation 15 (1), 229-240, 2019 | 82 | 2019 |
Generalized self-energy embedding theory TN Lan, D Zgid The journal of physical chemistry letters 8 (10), 2200-2205, 2017 | 72 | 2017 |
Rigorous Ab Initio Quantum Embedding for Quantum Chemistry Using Green’s Function Theory: Screened Interaction, Nonlocal Self-Energy Relaxation, Orbital Basis, and Chemical … T Nguyen Lan, AA Kananenka, D Zgid Journal of Chemical Theory and Computation 12 (10), 4856-4870, 2016 | 66 | 2016 |
Ab-Initio self-energy embedding for the photoemission spectra of NiO and MnO S Iskakov, CN Yeh, E Gull, D Zgid Phys. Rev. B 102, 085105, 2020 | 61 | 2020 |
Exploring connections between statistical mechanics and Green’s functions for realistic systems: Temperature dependent electronic entropy and internal energy from a self … AR Welden, AA Rusakov, D Zgid The Journal of chemical physics 145 (20), 2016 | 60 | 2016 |