Concordant Mode Approach (CMA): Vibrational Analysis of New and Upgraded Intermolecular Benchmarks for Noncovalent Bonding
with the inclusion of only 3.0% of the off-diagonal couplings not accounted for by CMA-0A. Accordingly, the highly efficient CMA methodology proves to be robust even for vibrations on flat potential energy surfaces.
Authors
- Nathaniel L. Kitzmiller (ORCID: https://orcid.org/0000-0002-0618-6497)
- Henry F. Schaefer (ORCID: https://orcid.org/0000-0003-0252-2083)
- Mitchell E. Lahm (ORCID: https://orcid.org/0000-0001-8908-8157)
- Wesley D. Allen
- Laura N. Olive Dornshuld
Institutions
- Heritage Foundation (US)
- Indiana Wesleyan University (US)
Publication Details
- Journal
- The Journal of Physical Chemistry A
- Published
- 2026-04-13
- DOI
- https://doi.org/10.1021/acs.jpca.6c00689
- Primary Topic
- Nonlinear Optical Materials Research
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Basic Energy Sciences