| 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 | 276 | 2017 |
| Density matrix renormalization group for ab initio Calculations and associated dynamic correlation methods: A review of theory and applications T Yanai, Y Kurashige, W Mizukami, J Chalupský, TN Lan, M Saitow International Journal of Quantum Chemistry 115 (5), 283-299, 2015 | 199 | 2015 |
| Complete active space second-order perturbation theory with cumulant approximation for extended active-space wavefunction from density matrix renormalization group Y Kurashige, J Chalupský, TN Lan, T Yanai The Journal of chemical physics 141 (17), 174111, 2014 | 133 | 2014 |
| 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 | 116 | 2020 |
| Communication: Towards ab initio self-energy embedding theory in quantum chemistry LN Tran, AA Kananenka, D Zgid The Journal of chemical physics 143 (24), 241102, 2015 | 104 | 2015 |
| Self-energy embedding theory (SEET) for periodic systems AA Rusakov, S Iskakov, LN Tran, D Zgid Journal of chemical theory and computation 15 (1), 229-240, 2019 | 88 | 2019 |
| Generalized self-energy embedding theory LN Tran, D Zgid The journal of physical chemistry letters 8 (10), 2200-2205, 2017 | 74 | 2017 |
| Rigorous ab initio quantum embedding for quantum chemistry using Green’s function theory: Screened interaction, nonlocal self-energy relaxation, orbital basis, and chemical … LN Tran, AA Kananenka, D Zgid Journal of chemical theory and computation 12 (10), 4856-4870, 2016 | 66 | 2016 |
| Efficient temperature-dependent Green’s function methods for realistic systems: Using cubic spline interpolation to approximate Matsubara Green’s functions AA Kananenka, AR Welden, TN Lan, E Gull, D Zgid Journal of chemical theory and computation 12 (5), 2250-2259, 2016 | 52 | 2016 |
| Tracking excited states in wave function optimization using density matrices and variational principles LN Tran, JAR Shea, E Neuscamman Journal of chemical theory and computation 15 (9), 4790-4803, 2019 | 44 | 2019 |
| Toward Reliable Prediction of Hyperfine Coupling Constants Using Ab Initio Density Matrix Renormalization Group Method: Diatomic 2Σ and Vinyl Radicals as … TN Lan, Y Kurashige, T Yanai Journal of Chemical Theory and Computation 10 (5), 1953-1967, 2014 | 41 | 2014 |
| Testing self-energy embedding theory in combination with GW LN Tran, A Shee, J Li, E Gull, D Zgid Physical Review B 96 (15), 155106, 2017 | 36 | 2017 |
| Improving excited state potential energy surfaces via optimal orbital shapes LN Tran, E Neuscamman The Journal of Physical Chemistry A 124 (40), 8273-8279, 2020 | 27 | 2020 |
| Spin-unrestricted self-energy embedding theory LN Tran, S Iskakov, D Zgid The Journal of Physical Chemistry Letters 9 (15), 4444-4450, 2018 | 27 | 2018 |
| Scalar Relativistic Calculations of Hyperfine Coupling Constants Using Ab Initio Density Matrix Renormalization Group Method in Combination with Third-Order … T Nguyen Lan, Y Kurashige, T Yanai Journal of Chemical Theory and Computation 11 (1), 73-81, 2015 | 21 | 2015 |
| Molecular g-tensors from analytical response theory and quasi-degenerate perturbation theory in the framework of complete active space self-consistent field method TN Lan, J Chalupský, T Yanai Molecular Physics 113 (13-14), 1750-1767, 2015 | 18 | 2015 |
| Monte Carlo simulation of magnetic nanoparticle systems TN Lan, TH Hai Computational Materials Science 49 (4), S287-S290, 2010 | 18 | 2010 |
| Electronic transport properties of molecular junctions based on the direct binding of aromatic ring to electrodes TN Lan Chemical Physics 428, 53-58, 2014 | 15 | 2014 |
| Correlated one-body potential from second-order Møller-Plesset perturbation theory: Alternative to orbital-optimized MP2 method TN Lan, T Yanai The Journal of Chemical Physics 138 (22), 2013 | 14 | 2013 |
| Role of the poly-dispersity and the dipolar interaction in magnetic nanoparticle systems: Monte Carlo study NL Tran, HH Tran Journal of Non-Crystalline Solids 357 (3), 996-999, 2011 | 13 | 2011 |
Dominika ZgidProfessor of Chemistry, University of MichiganEmail verificata su umich.edu
