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Many-body perturbation theory and the variational pairs of quantum chemistry

✍ Scribed by Karl F. Freed

Book ID
107731498
Publisher
Elsevier Science
Year
1970
Tongue
English
Weight
608 KB
Volume
4
Category
Article
ISSN
0009-2614

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πŸ“œ SIMILAR VOLUMES

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## Abstract A formalism for dealing with noncanonical Hartree–Fock spin orbitals is presented within the framework of many‐body perturbation theory. A test calculation on the planar methyl radical is carried out which displays certain features of open‐shell calculations and which demonstrates the v

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The ground state as well as some low-lying excited states of the Ne q molecule are 2 calculated by means of the third-order multireference many-body perturbation theory with the ''full'' eight-orbital valence space using DZP and polarized valence TZ basis sets. The problem encountered with a large n