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Relativistic Hamiltonians for Chemistry: A Primer
Author(s) -
Saue Trond
Publication year - 2011
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201100682
Subject(s) - chemistry , primer (cosmetics) , computational chemistry , organic chemistry
Entering Dirac territory: This Minireview provides a guide to two‐ and four‐component relativistic Hamiltonians for use in quantum chemistry with particular emphasis on the recently developed eXact two‐component (X2C) Hamiltonian.