Generalized molecular orbital theory
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Michael B. Hall
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Article
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1979
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Elsevier Science
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English
โ 428 KB
Iunited multi-confiiuratxon sdf-conszstent field (SiC SW) theory is presented, m \\*h& aJ.l the hx&iy occupred orbnats are associated uith ore Fork-like operator. rrhde the we&& occupied ones zre nssofiated \%ith .I second fock-i&e operrttor. Results for H-, and J&8 are presented ss successful tests