Publication Date:
2018-01-25
Description:
The Born–Oppenheimer approximation (BOA) provides the foundation for virtually all computational studies of chemical binding and reactivity, and it is the justification for the widely used “balls and springs” picture of molecules. The BOA assumes that nuclei effectively stand still on the timescale of electronic motion, due to their large...
Print ISSN:
0027-8424
Electronic ISSN:
1091-6490
Topics:
Biology
,
Medicine
,
Natural Sciences in General
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