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Binding energy of liquid4He calculated by the hypernetted-chain method

✍ Scribed by J. F. Moxnes; E. Østgaard


Publisher
Springer US
Year
1984
Tongue
English
Weight
703 KB
Volume
57
Category
Article
ISSN
0022-2291

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Accurate calculation of core-electron bi
✍ Delano P. Chong 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 332 KB

Using a basis set of atomic natural orbitals of valence triple-zeta plus double polarization quality, the core-electron binding energies (CEBEs) ofHF, H20, N2 and CO were computed by the deMon density-functional program with a combined functional of Becke's exchange (B88 ) with Perdew's correlation