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Density matrix method for nuclear binding energies

โœ Scribed by E.G. Weidemann


Publisher
Elsevier Science
Year
1965
Weight
782 KB
Volume
65
Category
Article
ISSN
0029-5582

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Accurate calculation of core-electron bi
โœ Delano P. Chong ๐Ÿ“‚ Article ๐Ÿ“… 1995 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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