The analytic gradient for the coupled pair functional...

The Journal of Chemical Physics 1988 Vol. 88; Iss. 11

The analytic gradient for the coupled pair functional method: Formula and application for HCl, H2CO, and the dimer H2CO⋅⋅⋅HCl

Rice, Julia E., Lee, Timothy J., Handy, Nicholas C.
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Volume:
88
Year:
1988
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.454400
File:
PDF, 1.18 MB
english, 1988
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