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On the role of symmetry in the ab initio hartree-fock linear-combination-of-atomic-orbitals treatment of periodic systems

✍ Scribed by Roberto Dovesi


Publisher
John Wiley and Sons
Year
1986
Tongue
English
Weight
891 KB
Volume
29
Category
Article
ISSN
0020-7608

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Evaluation of the electron momentum dens
✍ Alessandro Erba; Cesare Pisani 📂 Article 📅 2012 🏛 John Wiley and Sons 🌐 English ⚖ 417 KB 👁 1 views

## Abstract Alternative techniques are presented for the evaluation of the electron momentum density (EMD) of crystalline systems from __ab initio__ linear combination of atomic‐orbitals calculations performed in the frame of one‐electron self‐consistent‐field Hamiltonians. Their respective merits