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On the use of many-body perturbation theory and quantum-electrodynamics in molecular electronic structure theory

✍ Scribed by S. Wilson


Book ID
114141566
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
132 KB
Volume
547
Category
Article
ISSN
0166-1280

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Use of noncanonical orbitals in many-bod
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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