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Multiple Bonds and Excited States from the Hartree−Fock−Heitler−London Method

✍ Scribed by Corongiu, Giorgina


Book ID
120309618
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
264 KB
Volume
111
Category
Article
ISSN
1089-5639

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Symmetry properties of different solutions for singlet and triplet states of some simple molecules are investigated in the framework of the half-projected Hartree-Fock (HPHF) method. HPHF initial-guess functions were obtained by using mixtures with, or substitutions by, virtual orbitals of restricte