Kurt Brorsen

Kurt Brorsen


Nuclear Electronic Orbital (NEO) Method

kbrorsen@illinois.edu

(217) 300-1480

Ph.D in Physical Chemistry, 2014
Iowa State University, Ames, IA

B.S. in Chemistry and Mathematics, 2008
University of Oklahoma, Norman, OK

Publications

Multicomponent density functional theory embedding formulation

212. T. Culpitt, K. R. Brorsen, M. V. Pak, and S. Hammes-Schiffer, “Multicomponent density functional theory embedding formulation,” J. Chem. Phys. 145, 044106 (2016).

Nuclear-electronic orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and open-shell systems

193. K. R. Brorsen, A. Sirjoosingh, M. V. Pak, and S. Hammes-Schiffer, “Nuclear-electronic orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and open-shell systems,” J. Chem. Phys. 142, 214108 (2015).

Quantum treatment of protons with the reduced explicitly correlated Hartree-Fock approach

192. A. Sirjoosingh, M. V. Pak, K. R. Brorsen, and S. Hammes-Schiffer, “Quantum treatment or protons with the reduced explicitly correlated Hartree Fock approach,” J. Chem. Phys. 142, 214107 (2015).