Open AccessCommunication: Practical intramolecular symmetry adapted perturbation theory via Hartree-Fock embedding
Author(s) -
Robert M. Parrish,
Jérôme F. Gonthier,
Clémence Corminbœuf,
C. David Sherrill
Publication year - 2015
Publication title -
the journal of chemical physics
Language(s) - Uncategorized
Resource type - Journals
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.4927575
Subject(s) - wave function , intramolecular force , perturbation theory (quantum mechanics) , chemistry , atomic orbital , hartree–fock method , perturbation (astronomy) , quantum mechanics , physics , computational chemistry , electron
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