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Hermitian form of the secular equation in the complex molecular orbitals method

✍ Scribed by J. Hendeković


Publisher
John Wiley and Sons
Year
1977
Tongue
English
Weight
109 KB
Volume
12
Category
Article
ISSN
0020-7608

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📜 SIMILAR VOLUMES


Pairing representation in the complex mo
✍ Josip Hendekovic; Milica Pavlovic 📂 Article 📅 1980 🏛 Elsevier Science 🌐 English ⚖ 360 KB

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 compl