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Lan Nguyen Tran
Lan Nguyen Tran
Adresse e-mail validée de hcmiu.edu.vn
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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
2542017
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
1842015
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
1212014
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
1022020
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
992015
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
762019
Generalized self-energy embedding theory
LN Tran, D Zgid
The journal of physical chemistry letters 8 (10), 2200-2205, 2017
682017
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
622016
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
432016
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
402019
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
402014
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
332017
Spin-unrestricted self-energy embedding theory
LN Tran, S Iskakov, D Zgid
The Journal of Physical Chemistry Letters 9 (15), 4444-4450, 2018
272018
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
242020
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
212015
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
172015
Monte Carlo simulation of magnetic nanoparticle systems
TN Lan, TH Hai
Computational Materials Science 49 (4), S287-S290, 2010
172010
Electronic transport properties of molecular junctions based on the direct binding of aromatic ring to electrodes
TN Lan
Chemical Physics 428, 53-58, 2014
142014
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
142011
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
132013
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