Recently, two different but conceptually similar basis set Ε½ . superposition error BSSE free second-order perturbation theoretical schemes were developed by us that are being based on the chemical Hamiltonian Ε½ . approach CHA . Using these CHA-MP2 and CHA-PT2 methods, a comparison is made between th
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Systematic study of basis set superposition errors in the calculated interaction energy of two HF molecules
β Scribed by Schwenke, David W.; Truhlar, Donald G.
- Book ID
- 120589048
- Publisher
- American Institute of Physics
- Year
- 1985
- Tongue
- English
- Weight
- 975 KB
- Volume
- 82
- Category
- Article
- ISSN
- 0021-9606
- DOI
- 10.1063/1.448335
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