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Second-order correlation energy for H2O using explicitly correlated Gaussian geminals

✍ Scribed by Bukowski, Robert; Jeziorski, Bogumil̸; Rybak, Stanisl̸aw; Szalewicz, Krzysztof


Book ID
111930307
Publisher
American Institute of Physics
Year
1995
Tongue
English
Weight
482 KB
Volume
102
Category
Article
ISSN
0021-9606

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