Professor Emeritus

PhD Texas A&M University (1968)

Research Group

Quantum Theory Project (Chemical Physics)
Center for Molecular Magnetic Quantum Materials

Research Interests

Research interests include: Density functional theory, especially free-energy (finite temperature) DFT and orbital-free DFT, with emphasis on development and innovative application of improved, non-empirical approxitmate functionals; simulation of matter under extreme conditions (e.g. warm dense matter, systems in high magnetic fields, nano-scale and reduced dimension systems).

Selected Publications

“Towards accurate orbital-free simulations: a generalized gradient approximation for the non-interacting free-energy density functional,” K. Luo, V.V. Karasiev, and S.B. Trickey, Phys. Rev. B 101, 075116 (2020)

“Negative electron affinities and derivative discontinuity contribution from a generalized gradient approximation exchange functional,” Javier
Carmona-Espíndola, José L. Gázquez, Alberto Vela, and S.B. Trickey, J. Phys. Chem. A (invited paper), 124, 13341342 (2020)

“Analysis of Over-magnetization of Elemental Transition Metal Solids from the SCAN Density Functional,” Daniel Mejía-Rodríguez and S.B. Trickey, Phys. Rev. B 100, 041113(R) (2019).

“Density Response from Kinetic Theory and Time Dependent Density Functional Theory for Matter Under Extreme Conditions,” James W. Dufty, Kai Luo, and S.B. Trickey, Phys. Rev. E 98, 033203 (2018)

“Nonempirical Semi-local Free-Energy Density Functional for Matter Under Extreme Conditions,” V.V. Karasiev, James W. Dufty, and S.B. Trickey, Phys. Rev. Lett. 120, 076401 (2018)