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Comments on the electronic structure of dimeric copper, as calculated with the hartree—fock—slater method

✍ Scribed by Diana Guenzburger

Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
343 KB
Volume
86
Category
Article
ISSN
0009-2614

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✦ Synopsis

The fist-prinaples numcrad dlscretc varIaflona1 method was employed to study the electrontc structure olCuz, using the So appro\tm;ll~on for the exchange tntetactlon. Oneelectron eigenvahtes and ionization potentnls are given. Results are dacussed tn the framework of the appro\imatlons used, and compared with pubhshed ab tnttto results.

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