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Henry K. Tran
Henry K. Tran
Postdoctoral Scientist, Columbia University
Verifierad e-postadress på columbia.edu
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Bootstrap embedding for molecules
HZ Ye, ND Ricke, HK Tran, T Van Voorhis
Journal of chemical theory and computation 15 (8), 4497-4506, 2019
342019
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
232019
Bootstrap embedding for large molecular systems
HZ Ye, HK Tran, T Van Voorhis
Journal of Chemical Theory and Computation 16 (8), 5035-5046, 2020
152020
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
112018
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
102021
Bootstrap embedding with an unrestricted mean-field bath
HK Tran, HZ Ye, T Van Voorhis
The Journal of Chemical Physics 153 (21), 2020
62020
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
22023
Analysis of the Jahn-Teller Effect on the Spectrum and Structure of the NO3 Radical
H Tran
The Ohio State University, 2016
12016
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
arXiv preprint arXiv:2403.06364, 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
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Artiklar 1–18