116 citations · 299 across the 10 of their papers we have counts for
10 papers
The Phonon Quasiparticle Approach for Anharmonic Properties of Solids
Zhen Zhang, Dong-Bo Zhang, Tao Sun +1
Knowledge of lattice anharmonicity is essential to elucidate distinctive thermal properties in crystalline solids. Yet, accurate \textit{ab initio} investigations of lattice anharm…
phq: a Fortran code to compute phonon quasiparticle properties and dispersions
Zhen Zhang, Dong-Bo Zhang, Tao Sun +1
We here introduce a Fortran code that computes anharmonic free energy of solids from first-principles based on our phonon quasiparticle approach. In this code, phonon quasiparticle…
Two-phase Thermodynamic Model for Computing Entropies of Liquids Reanalyzed
Tao Sun, Jiawei Xian, Huai Zhang +2
The two-phase thermodynamic (2PT) model {[}J. Chem. Phys., \textbf{119}, 11792 (2003){]} provides a promising paradigm to efficiently determine the ionic entropies of liquids from…
Changes to the t-J Model From Inclusion of Two-Site Nearest-Neighbor Coulomb Interactions
Tao Sun
To date, the Hubbard model and its strong coupling limit, the t-J model, serve as the canonical model for strongly correlated electron systems in solids. Approximating the Coulomb…
Green Function Theory of Strongly Correlated Electron Systems
Tao Sun
A novel effective Hamiltonian in the subspace of singly occupied states is obtained by applying the Gutzwiller projection approach to a generalized Hubbard model with the interacti…
Pre-melting hcp to bcc Transition in Beryllium
Y. Lu, T. Sun, Ping. Zhang +3
Beryllium (Be) is an important material with wide applications ranging from aerospace components to X-ray equipments. Yet a precise understanding of its phase diagram remains elusi…