The full versus the virtual counterpoise correction for basis set superposition error in self-consistent field calculations

Chemical Physics Letters

Volumn 123, Issue 1-2, 1986, Pages 56-61

  Collins, J R ^a   Gallup, G A ^a  

^a UNIVERSITY OF NEBRASKA LINCOLN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0003359242     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/0009-2614(86)87014-2     Document Type: Article

References (27)

1. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
2. Perturbativeab initio calculations of intermolecular energies. II. The He ��� He problem
3. ImprovedSCF interaction energy decomposition scheme corrected for basis set superposition effect
4. The long range model of intermolecular forces
5. Basis set superposition effects on properties of interacting systems. Dipole moments and polarizabilities
6. Electron tunneling, charge transfer, and the intermolecular forces between two H2 molecules
7. Ab initiovalence bond calculation of intermolecular forces using a non-orthogonal basis set: HeHe and HeLi systems
8. Direct calculation of intermolecular potential energy surfaces
9. Contributions to interatomic and intermolecular forces
10. Valence body study of the potential energy surface for the system He … HF
11. Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements
12. Intermolecular Potentials from Crossed Beam Differential Elastic Scattering Measurements. VII. para-H2+para-H2