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
211 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), 144116, 2008
188 2008 Dynamical mean-field theory from a quantum chemical perspective D Zgid, GKL Chan
The Journal of chemical physics 134 (9), 094115, 2011
131 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 86 (16), 165128, 2012
130 2012 On the spin and symmetry adaptation of the density matrix renormalization group method D Zgid, M Nooijen
The Journal of chemical physics 128 (1), 014107, 2008
115 2008 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), 241101, 2014
101 2014 Systematically improvable multiscale solver for correlated electron systems AA Kananenka, E Gull, D Zgid
Physical Review B 91 (12), 121111, 2015
97 2015 Obtaining the two-body density matrix in the density matrix renormalization group method D Zgid, M Nooijen
The Journal of chemical physics 128 (14), 144115, 2008
92 2008 Interaction of NH (X Σ) with He: Potential energy surface, bound states, and collisional Zeeman relaxation H Cybulski, RV Krems, HR Sadeghpour, A Dalgarno, J Kłos, ...
The Journal of chemical physics 122 (9), 094307, 2005
91 2005 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
84 2003 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
83 2020 Self-consistent second-order Green’s function perturbation theory for periodic systems AA Rusakov, D Zgid
The Journal of chemical physics 144 (5), 054106, 2016
83 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), 241102, 2015
81 2015 The density matrix renormalization group in quantum chemistry GKL Chan, D Zgid
Annual Reports in Computational Chemistry 5, 149-162, 2009
80 2009 A study of cumulant approximations to D Zgid, D Ghosh, E Neuscamman, GKL Chan
The Journal of chemical physics 130 (19), 194107, 2009
79 2009 Finite temperature quantum embedding theories for correlated systems D Zgid, E Gull
New Journal of Physics 19 (2), 023047, 2017
76 2017 Generalized self-energy embedding theory TN Lan, D Zgid
The Journal of Physical Chemistry Letters 8 (10), 2200-2205, 2017
57 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
55 2019 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
52 2016 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), 204106, 2016
51 2016 