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Berry's phase, Schwinger term and explicit calculations in two dimensions

✍ Scribed by Shinobu Hosono

Book ID
116147188
Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
602 KB
Volume
300
Category
Article
ISSN
0550-3213

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Basis set and correlation effects in the
Basis set and correlation effects in the calculation of accurate gas phase dimerization energies of two M+2 to give M2+4 (M = S, Se)
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The dimerization energies of two M + 2 to give M 2+ 4 (M = S, Se) were calculated. They depend strongly on the size of the basis set and the correlation method used (ranging from 217 to 522 kJ/mol, M = S) and, therefore, a systematic study of basis set and correlation effects was performed [MP2, MP3