Counterpoise and fragment interaction energies
Research context
research method · established · As of 2026-10-10
Counterpoise compares the complex energy with fragment energies evaluated in the complex basis, including partner basis functions without partner nuclei.
Key knowledge
Counterpoise compares the complex energy with fragment energies evaluated in the complex basis, including partner basis functions without partner nuclei. This tests basis-set superposition effects in a specified fragmentation; it does not correct all basis or correlation errors.
Conditions and scope
- Define fragment geometries and charges, and distinguish interaction energy from deformation and total binding energy.
Sources · 1
References
Sources retain their recorded scope. A source link alone does not establish verification of every statement.
Evidence and review
Basis Set Superposition Corrections: CP/noCP/VMFC definitions and dimer interaction examples (relevant full-text sections)
2026-10-10 · Bounded author source inspection of counterpoise and fragment interaction energies, including the stated conditions; independent branch review is recorded separately.
Entry details
Permanent link to this entry ↗- Record identity
- res-chem-counterpoise
- Revision
- research.1
- Structured reference record
- Postgraduate & research reference