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Application of the molecular dynamics method and the excited state model to the investigation of the glass transition in argon

✍ Scribed by Sh. B. Tsydypov; A. N. Parfenov; D. S. Sanditov; Yu. V. Agrafonov; A. S. Nesterov

Book ID
111467707
Publisher
SP MAIK Nauka/Interperiodica
Year
2006
Tongue
English
Weight
182 KB
Volume
32
Category
Article
ISSN
1087-6596

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## Abstract The CASSCF method has been applied to some excited states of the BO molecule. Only portions of the full potential curves could be obtained with the help of the usual two‐step procedure. It was possible to complete the curves and to consider other excited states by using an averaged fiel