If numerical configuration selection procedures are used in MRDCI calculations, the full MRDCI energy may be estimated by adding energy corrections obtained by perturbation theory. Accurate results may then be obtained by including all selected CFS in the zero-order function instead of only the refe
Correction to a dimensional perturbation calculation of the contraction coefficient
β Scribed by Arthur D Snider
- Publisher
- Elsevier Science
- Year
- 1972
- Tongue
- English
- Weight
- 87 KB
- Volume
- 9
- Category
- Article
- ISSN
- 0021-9991
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π SIMILAR VOLUMES
Shorter Communications ratio of pore radii at entrance and constrictions volume fraction of water in macrostructure total volume fraction of water in the matrix factor accounting for the pores of varying crosssection r tortuosity p density REFERENCES
## Abstract An algorithm for correcting the distortions that occur in diffusionβweighted echoβplanar images due to the strong diffusionβsensitizing gradients is presented. The dominant distortions may be considered to be only changes of scale coupled with a shear and linear translation in the phase
The vcrtlcat lonlz;lhon pokntlalsof Or\*, HNrz and Cl12r2 wcrc colnputcd by Raylclgb-SLhrodlnfcr purturbatlon corrcchons to Koopmans' theorem. Compxrlson of the rvcragc absolute devlatlon of 21 lomzahon potcnt!dls from c\pcrlmcnt lndlcates ngndiunt nnprovcmcnt over prcvlous large-scale frozcn-orbnal
We give B description or a variauon-perturbalion approach IO calculaling intermolecular pok.nlrals that possess a syslematic cancellation ol errors. An important consequence is the posabihty or uslog integrals over AOs that arc quile approximate.