Orbital-free density functional theory for molecular structure calculations H Chen, A Zhou Numerical Mathematics: Theory, Methods and Applications 1 (1), 1-28, 2008 | 84 | 2008 |
Adaptive Finite Element Approximations for Kohn-Sham Models H Chen, X Dai, X Gong, L He, A Zhou Multiscale Modeling & Simulation 12 (4), 1828-1869, 2014 | 71 | 2014 |
Finite element approximations of nonlinear eigenvalue problems in quantum physics H Chen, L He, A Zhou Computer Methods in Applied Mechanics and Engineering 200 (21), 1846-1865, 2011 | 57 | 2011 |
Numerical analysis of finite dimensional approximations of Kohn–Sham models H Chen, X Gong, L He, Z Yang, A Zhou Advances in Computational Mathematics 38 (2), 225-256, 2013 | 56 | 2013 |
QM/MM methods for crystalline defects. part 1: Locality of the tight binding model H Chen, C Ortner Multiscale Modeling & Simulation 14 (1), 232-264, 2016 | 48 | 2016 |
Numerical analysis of augmented plane wave methods for full-potential electronic structure calculations H Chen, R Schneider ESAIM: Mathematical Modelling and Numerical Analysis 49 (3), 755-785, 2015 | 44 | 2015 |
Numerical methods for a Kohn-Sham density functional model based on optimal transport H Chen, G Friesecke, CB Mendl Journal of chemical theory and computation 10 (10), 4360-4368, 2014 | 41 | 2014 |
Numerical approximations of a nonlinear eigenvalue problem and applications to a density functional model H Chen, X Gong, A Zhou Mathematical Methods in the Applied Sciences 33 (14), 1723-1742, 2010 | 41 | 2010 |
QM/MM methods for crystalline defects. Part 2: Consistent energy and force-mixing H Chen, C Ortner Multiscale Modeling & Simulation 15 (1), 184-214, 2017 | 34 | 2017 |
Adaptive finite element approximations for a class of nonlinear eigenvalue problems in quantum physics H Chen, X Gong, L He, A Zhou Advances in Applied Mathematics and Mechanics 3 (4), 493-518, 2011 | 28* | 2011 |
A two-scale higher-order finite element discretization for Schrödinger equation H Chen, F Liu, A Zhou Journal of Computational Mathematics, 315-337, 2009 | 26 | 2009 |
Thermodynamic limit of crystal defects with finite temperature tight binding H Chen, J Lu, C Ortner Archive for Rational Mechanics and Analysis 230 (2), 701-733, 2018 | 25 | 2018 |
Geometry equilibration of crystalline defects in quantum and atomistic descriptions H Chen, FQ Nazar, C Ortner Mathematical Models and Methods in Applied Sciences 29 (03), 419-492, 2019 | 20 | 2019 |
Pair densities in density functional theory H Chen, G Friesecke Multiscale Modeling & Simulation 13 (4), 1259-1289, 2015 | 20 | 2015 |
Error estimates for Hermite and even-tempered Gaussian approximations in quantum chemistry M Bachmayr, H Chen, R Schneider Numerische Mathematik 128 (1), 137-165, 2014 | 16 | 2014 |
Adaptive QM/MM coupling for crystalline defects H Chen, M Liao, H Wang, Y Wang, L Zhang Computer Methods in Applied Mechanics and Engineering 354, 351-368, 2019 | 15 | 2019 |
Locality of interatomic forces in tight binding models for insulators C Ortner, J Thomas, H Chen ESAIM. Mathematical Modelling and Numerical Analysis 54, 2020 | 14 | 2020 |
Plane wave methods for quantum eigenvalue problems of incommensurate systems Y Zhou, H Chen, A Zhou Journal of Computational Physics 384, 99-113, 2019 | 13 | 2019 |
A Posteriori Error Estimates for Adaptive QM/MM Coupling Methods Y Wang, H Chen, M Liao, C Ortner, H Wang, L Zhang SIAM Journal on Scientific Computing 43 (4), A2785-A2808, 2021 | 12 | 2021 |
Body-Ordered Approximations of Atomic Properties J Thomas, H Chen, C Ortner Archive for Rational Mechanics and Analysis 246 (1), 1-60, 2022 | 10* | 2022 |