The efficient evaluation of configuration interaction...

The Journal of Chemical Physics 1986 Vol. 85; Iss. 7

The efficient evaluation of configuration interaction analytic energy second derivatives: Application to hydrogen thioperoxide, HSOH

Lee, Timothy J., Handy, Nicholas C., Rice, Julia E., Scheiner, Andrew C., Schaefer, Henry F.
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Volume:
85
Year:
1986
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.451826
File:
PDF, 878 KB
english, 1986
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