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Atomic term symbols via partitioning techniques

✍ Scribed by John A. Olson

Book ID: 111701274
Publisher: John Wiley and Sons
Year: 2010
Tongue: English
Weight: 114 KB
Volume: 111
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.22765

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## Abstract Classical force fields describe the interaction between atoms that are bonded or nonbonded via simple potential energy expressions. Their parameters are often determined by fitting to __ab initio__ energies and electrostatic potentials. A direct quantum chemical guide to constructing a