Recently, two different but conceptually similar basis set Ž . superposition error BSSE free second-order perturbation theoretical schemes were developed by us that are being based on the chemical Hamiltonian Ž . approach CHA . Using these CHA-MP2 and CHA-PT2 methods, a comparison is made between th
MP4 Interaction energies and basis set superposition errors for the (H2)2dimer
✍ Scribed by P. Hobza; B. Schneider; J. Sauer; P. Čársky; R. Zahradník
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 475 KB
- Volume
- 134
- Category
- Article
- ISSN
- 0009-2614
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