Gustavo E. Scuseria

Robert A. Welch Professor

Department: Chemistry, Physics and Astronomy, Materials Science and NanoEngineering

Office Phone: (713) 348-4746

Website: http://scuseria.rice.edu/

Research Areas

Research Description

Professor Scuseria is a US citizen born in Argentina.  He received his Ph. D. in Physics from the University of Buenos Aires in 1983. After moving to UC Berkeley in 1985, his interest in electronic structure theory steered him to the quantum chemistry field. He joined the faculty at Rice in 1989. Over the years, he has straddled between chemistry and physics, working in diverse areas ranging from coupled cluster to density functional theories and on applications to both molecules and solids including actinide oxides and carbon nanostructures.

 

 

Selected Publications

1. Potential energy curves for Mo2: Multi-component symmetry projected Hartree-Fock methods and beyond, L. Bytautas, C. A. Jiménez-Hoyos, R. R. Rodríguez-Guzmán, and G. E. Scuseria, Mol. Phys. (2014).

2. Density matrix embedding theory from broken symmetry mean fields, I. W. Bulik, G. E. Scuseria, and J. Dukelsky, Phys. Rev. B 89, 035140 (2014).

3. Stability of Hemi-Bonded versus Proton-Transferred Structures of (H2O)+2, (H2S)+2 and (H2Se)+2 studied with Projected Hartree-Fock Methods, T. Stein, C. A. Jiménez-Hoyos, and G. E. Scuseria, J. Phys. Chem. A (2014).

4. The isotropic molecular polarizabilities of single methyl-branched alkanes in the terahertz range, D. V. Nickel, A. J. Garza, G. E. Scuseria, and D. M. Mittleman, Chem. Phys. Lett. 592, 292-296 (2014).

5. A Computational Study of the Nonlinear Optical Properties of Carbazole Derivatives: Theory Refines Experiment, A. J. Garza, O. I. Osman, N. A. Wazzan, S. B. Khan, A. M. Asiri, and G. E. Scuseria, Theor. Chem. Acc. 133, 1458 (2014).

6. Coupled cluster channels in the homogeneous electron gas, J. J. Shepherd, T. M. Henderson, and G. E. Scuseria, J. Chem. Phys. 140, 124101 (2014).

7. Symmetry-projected wavefunctions in Quantum Monte Carlo calculations, H. Shi, C. A. Jiménez-Hoyos, R. R. Rodríguez-Guzmán, G. E. Scuseria, and S. Zhang, Phys. Rev. B 89, 125129 (2014).

8.  Range Separated Brueckner Coupled Cluster Doubles Theory, J. J. Shepherd, T. M. Henderson, and G. E. Scuseria, Phys. Rev. Lett. 112, 133002 (2014).

9. Quasiparticle coupled cluster theory for pairing interactions, T. M. Henderson, G. E. Scuseria, J. Dukelsky, A. Signoracci, and T. Duguet, Phys. Rev. C 89, 054305 (2014).

10. Multi-reference symmetry-projected variational approximation for ground states of the doped one-dimensional Hubbard model, R. R. Rodríguez-Guzmán, C. A. Jiménez-Hoyos, and G. E. Scuseria, Phys Rev. B 89, 195109 (2014).

11. Analytic energy gradient for the projected Hartree-Fock method, R. Schutski, C. A. Jiménez-Hoyos, and G. E. Scuseria, J. Chem. Phys. 140, 204101 (2014).

12. Seniority zero pair coupled cluster doubles theory, T. Stein, T. M. Henderson, and G. E. Scuseria, J. Chem. Phys. 140, 214113 (2014).

13. Electronic correlation without double counting via a combination of spin projected Hartree-Fock and density functional theories, A. J. Garza, C. A. Jiménez-Hoyos, and G. E. Scuseria, J. Chem. Phys. 140, 244102 (2014).

Recent Publications