Comprehensive Basis-Set Testing of Extended Symmetry-Adapted Perturbation Theory and Assessment of Mixed-Basis Combinations to Reduce Cost.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.1c01302
Abstract: Hybrid or "extended" symmetry-adapted perturbation theory (XSAPT) replaces traditional SAPT's treatment of dispersion with better performing alternatives while at the same time extending two-body (dimer) SAPT to a many-body treatment of polarization using a self-consistent… read more here.
Keywords: basis set; theory; extended symmetry; basis ... See more keywords
Numerical investigations of SO(4) emergent extended symmetry in spin- 1 2 Heisenberg antiferromagnetic chains
Sign Up to like & getrecommendations! Published in 2018 at "Physical Review B"
DOI: 10.1103/physrevb.98.014414
Abstract: We would like to thank C. Xu for useful discussions. A.W.S. was supported by the NSF under Grant No. DMR-1710170 and by a Simons Investigator Grant. P.P. would like to thank the Institute of Physics,… read more here.
Keywords: numerical investigations; spin heisenberg; investigations emergent; symmetry spin ... See more keywords