In ab initio Hartree-Fock crystal orbital calculations of chemical and physical properties of polymers, the huge number of two-electron integrals restricts the size of the elementary cell. Therefore, the question arises how the storage and computation resources of modern parallel supercomputers can
Quantum-Mechanical Energy Calculations in Chemistry
✍ Scribed by Libuše Šroubková; Rudolf Zahradník
- Publisher
- John Wiley and Sons
- Year
- 2001
- Tongue
- German
- Weight
- 111 KB
- Volume
- 84
- Category
- Article
- ISSN
- 0018-019X
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