@article{ISI:000381320200019,
 abstract = {We describe an efficient projection-based real-space implementation of
the nonlocal single-determinant exchange operator. Through a matrix
representation of the projected operator, we show that this scheme works
equally well for both occupied and virtual states. Our scheme reaches a
speedup of 2 orders of magnitude and has no significant loss of accuracy
compared to an implementation of the full nonlocal single-determinant
exchange operator. We find excellent agreement upon comparing
Hartree-Fock eigenvalues, dipoles, and polarizabilities of selected
molecules calculated using our method to values in the literature. To
illustrate the efficiency of this scheme we perform calculations on
systems with up to 240 carbon atoms.},
 author = {Boffi, Nicholas M. and Jain, Manish and Natan, Amir},
 doi = {10.1021/acs.jctc.6b00376},
 eissn = {1549-9626},
 issn = {1549-9618},
 journal = {JOURNAL OF CHEMICAL THEORY AND COMPUTATION},
 month = {AUG},
 number = {8},
 orcid-numbers = {Jain, Manish/0000-0001-9329-6434
NATAN, AMIR/0000-0003-4517-5667},
 pages = {3614-3622},
 researcherid-numbers = {Jain, Manish/A-8303-2010
NATAN, AMIR/K-8208-2016},
 times-cited = {13},
 title = {Efficient Computation of the Hartree-Fock Exchange in Real-Space with
Projection Operators},
 unique-id = {ISI:000381320200019},
 volume = {12},
 year = {2016}
}