Bootstrap embedding for molecules HZ Ye, ND Ricke, HK Tran, T Van Voorhis Journal of chemical theory and computation 15 (8), 4497-4506, 2019 | 47 | 2019 |
Using SCF metadynamics to extend density matrix embedding theory to excited states HK Tran, T Van Voorhis, AJW Thom The Journal of chemical physics 151 (3), 2019 | 28 | 2019 |
Bootstrap embedding for large molecular systems HZ Ye, HK Tran, T Van Voorhis Journal of Chemical Theory and Computation 16 (8), 5035-5046, 2020 | 25 | 2020 |
Accurate electronic excitation energies in full-valence active space via bootstrap embedding HZ Ye, HK Tran, T Van Voorhis Journal of Chemical Theory and Computation 17 (6), 3335-3347, 2021 | 15 | 2021 |
Quantifying the effects of higher order coupling terms on fits using a second order Jahn-Teller Hamiltonian HK Tran, JF Stanton, TA Miller Journal of Molecular Spectroscopy 343, 102-115, 2018 | 12 | 2018 |
Bootstrap embedding with an unrestricted mean-field bath HK Tran, HZ Ye, T Van Voorhis The Journal of Chemical Physics 153 (21), 2020 | 11 | 2020 |
Vibrational heat-bath configuration interaction with semistochastic perturbation theory using harmonic oscillator or VSCF modals HK Tran, TC Berkelbach The Journal of Chemical Physics 159 (19), 2023 | 5 | 2023 |
MP2-based composite extrapolation schemes can predict core-ionization energies for first-row elements with coupled-cluster level accuracy A Morgunov, HK Tran, OR Meitei, YC Chien, T Van Voorhis The Journal of Physical Chemistry A 128 (33), 6989-6998, 2024 | 1 | 2024 |
Analysis of the Jahn-Teller Effect on the Spectrum and Structure of the NO3 Radical H Tran Undergraduate research thesis, 2016 | 1 | 2016 |
Bootstrap Embedding for Molecules in Extended Basis Sets HK Tran, LP Weisburn, M Cho, S Weatherly, HZ Ye, T Van Voorhis Journal of Chemical Theory and Computation 20 (24), 10912-10921, 2024 | | 2024 |
Quantum Embedding Methods for the Accurate Ground and Excited Electronic Structure of Large Molecular Systems HK Tran Massachusetts Institute of Technology, 2022 | | 2022 |
Quantum embedding for molecular systems H Ye, N Ricke, H Tran, T Van Voorhis ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
Direct embedding of excited electronic states using density matrix embedding theory H Tran, T Van Voorhis, A Thom ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
Analysis of the Rotationally Resolved, Non-Degenerate (a''_1) and Degenerate (e') Vibronic Bands in the tilde {A}^ 2E''← tilde {X}^ 2A'_2 Transition of NO_3. H Tran, TA Miller 71st International Symposium on Molecular Spectroscopy, RF04, 2016 | | 2016 |
Quantifying the Effects of Higher Order Jahn-Teller Coupling Terms on a Quadratic Jahn-Teller Hamiltonian in the Case of NO_3 and Li_3. H Tran, JF Stanton, TA Miller 71st International Symposium on Molecular Spectroscopy, RF03, 2016 | | 2016 |
Analysis of Rotationally Resolved Spectra to Non-Degenerate (a''_1) Upper-State Vibronic Levels in the tilde{A} ^2E''-tilde{X}^2A^'_2 Electronic Transition of NO_3 M Roudjane, TJ Codd, MW Chen, H Tran, DG Melnik, TA Miller, ... 70th International Symposium on Molecular Spectroscopy, TH09, 2015 | | 2015 |
Analysis of Rotationally Resolved Spectra to Degenerate (e^') Upper-State Vibronic Levels in the tilde{A} ^2E''-tilde{X}^2A^'_2 Electronic Transition of NO_3 H Tran, TA Miller 70th International Symposium on Molecular Spectroscopy, TH10, 2015 | | 2015 |
Rovibronic Analysis of the e^' Bands in the widetilde{A}^2 E" State of NO_3 Radical H Tran, TJ Codd, M Roudjane, DG Melnik, TA Miller 69th International Symposium on Molecular Spectroscopy, MI12, 2014 | | 2014 |
Analysis of rotationally resolved spectra to degenerate (e′) upper-state vibronic levels in the à 2E′′− X̃2A′ 2 electronic transition of NO3 H Tran International Symposium on Molecular Spectroscopy, 0 | | |