Accurate homogeneous electron gas exchange-correlation free energy for local spin-density calculations von Karasiev, Valentin V, Sjostrom, Travis, Dufty, James, Trickey, S B

Volltext

Orbital-Free Density Functional Theory: An Attractive Electronic Structure Method for Large-Scale First-Principles Simulations von Mi, Wenhui, Luo, Kai, Trickey, S. B., Pavanello, Michele

Volltext

Nonempirical Semilocal Free-Energy Density Functional for Matter under Extreme Conditions von Karasiev, Valentin V, Dufty, James W, Trickey, S B

Volltext

Spin-Crossover from a Well-Behaved, Low-Cost meta-GGA Density Functional von Mejía-Rodríguez, Daniel, Trickey, S. B

Volltext

On the liquid–liquid phase transition of dense hydrogen von Karasiev, Valentin V., Hinz, Joshua, Hu, S. X., Trickey, S. B.

Volltext

Finite-temperature orbital-free DFT molecular dynamics: Coupling Profess and Quantum Espresso von Karasiev, Valentin V., Sjostrom, Travis, Trickey, S.B.

Volltext

Deorbitalized meta-GGA exchange-correlation functionals in solids von Mejia-Rodriguez, Daniel, Trickey, S. B.

Volltext

Comment on “Regularized SCAN functional” [J. Chem. Phys. 150, 161101 (2019)] von Mejía-Rodríguez, D., Trickey, S. B.

Volltext

Reworking the Tao–Mo exchange–correlation functional. II. De-orbitalization von Francisco, H., Cancio, A. C., Trickey, S. B.

Volltext

Reworking the Tao–Mo exchange-correlation functional. I. Reconsideration and simplification von Francisco, H., Cancio, A. C., Trickey, S. B.

Volltext

Reworking the Tao–Mo Exchange–Correlation Functional. III. Improved Deorbitalization Strategy and Faithful Deorbitalization von Francisco, H., Cancio, A. C., Trickey, S. B.

Volltext

Transition Temperature for Spin-Crossover Materials with the Mean Value Ensemble Hubbard‑U Correction von Albavera-Mata, Angel, Hennig, Richard G., Trickey, S. B.

Volltext

Mean Value Ensemble Hubbard‑U Correction for Spin-Crossover Molecules von Albavera-Mata, Angel, Trickey, S. B., Hennig, Richard G.

Volltext

Magnetic and Thermodynamic Computations for Supramolecular Assemblies between a Cr(III) and Fe(III) Single-Ion Magnet and an Fe(II) Spin-Crossover Complex von Albavera-Mata, Angel, Liu, Shuanglong, Cheng, Hai-Ping, Hennig, Richard G., Trickey, S. B.

Volltext

Importance of finite-temperature exchange correlation for warm dense matter calculations von Karasiev, Valentin V, Calderín, Lázaro, Trickey, S B

Volltext

Accurate and balanced anisotropic Gaussian type orbital basis sets for atoms in strong magnetic fields von Zhu, Wuming, Trickey, S. B.

Volltext

A simple generalized gradient approximation for the noninteracting kinetic energy density functional von Luo, Kai, Karasiev, Valentin V., Trickey, S. B.

Volltext

Generalized Gradient Approximation Exchange Energy Functional with Near-Best Semilocal Performance von Carmona-Espíndola, Javier, Gázquez, José L, Vela, Alberto, Trickey, S. B

Volltext

Meta-GGA performance in solids at almost GGA cost von Mejía-Rodríguez, Daniel, Trickey, S. B.

Volltext

All-electron APW+lo calculation of magnetic molecules with the SIRIUS domain-specific package von Zhang, Long, Kozhevnikov, Anton, Schulthess, Thomas, Trickey, S. B., Cheng, Hai-Ping

Volltext