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Pairing representation in the complex molecular-orbital method

✍ Scribed by Josip Hendekovic; Milica Pavlovic

Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
360 KB
Volume
73
Category
Article
ISSN
0009-2614

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✦ Synopsis

Numerical analysis revealed that the closed-shell complex molecular-orbital (CMO) wavefunctron.

which describesa signifrcant part of the electron correlation in molecules, may be transformed mto a very simple pairing form. This feature of the CM0 method IS essential for developmg an efficient complex configuration mixing scheme, analogous to the oonfiitionmteractlon method It should allow a rehable descripuon of electron correlation in systems beyond the reach of present-day theories.

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