Publications

• McKenzie, S, Epifanovsky, E, Barca, G et al. 2018, 'Efficient Method for Calculating Effective Core Potential Integrals', Journal of Physical Chemistry A, vol. 122, no. 11, pp. 3066-3075pp.
• Barca, G, Gilbert, A & Gill, P 2018, 'Simple Models for Difficult Electronic Excitations', Journal of Chemical Theory and Computation (JCTC), vol. 14, no. 3, pp. 1501-1509pp.
• Barca, G & Loos, P 2017, 'Recurrence Relations for Four-Electron Integrals Over Gaussian Basis Functions', Advances in Quantum Chemistry, vol. Online - in press, pp. -.
• Barca, G & Loos, P 2017, 'Three- and four-electron integrals involving Gaussian geminals: Fundamental integrals, upper bounds, and recurrence relations', Journal of Chemical Physics, vol. 147, no. 2, pp. 24103-24103.
• Barca, G, Gilbert, A & Gill, P 2017, 'Excitation Number: Characterizing Multiply Excited States', Journal of Chemical Theory and Computation (JCTC), vol. 14, no. 1, pp. 9-13pp.
• Barca, G, Loos, P & Gill, P 2016, 'Many-Electron Integrals over Gaussian Basis Functions. I. Recurrence Relations for Three-Electron Integrals', Journal of Chemical Theory and Computation (JCTC), vol. 12, no. 4, pp. 1735-1740.
• Barca, G & Gill, P 2016, 'Two-Electron Integrals over Gaussian Geminals', Journal of Chemical Theory and Computation (JCTC), vol. 12, no. 10, pp. 4915-4924.
• Barca, G, Gilbert, A & Gill, P 2014, 'Communication: Hartree-Fock description of excited states of H-2', Journal of Chemical Physics, vol. 141, no. 11, pp. 111104-111104.

Projects and Grants

Grants information is drawn from ARIES. To add or update Projects or Grants information please contact your College Research Office.

• The Extreme-Scale Electronic Structure System (EXESS): Predicting the Chemistry of Nanomaterial Interfaces (Primary Investigator)
• Develop Energy Optimal Algorithms and FPGA Implementations for GAMESS Project (Primary Investigator)