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Translational and rotational symmetries in integral derivatives of arbitrary order

โœ Scribed by James O. Jensen; Ajit Banerjee; Jack Simons


Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
736 KB
Volume
102
Category
Article
ISSN
0301-0104

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๐Ÿ“œ SIMILAR VOLUMES


Exploiting rotational and translational
โœ M. Page; P. Saxe; G.F. Adams; B.H. Lengsfield III ๐Ÿ“‚ Article ๐Ÿ“… 1984 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 340 KB

It is shown how the invariance of the Born-Oppenheimer potential energy to overall translations and rotations of a molecule can be used to reduce the computational labor required for derivative evaluations at various orders.