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Curve Crossing and Orthogonality of Molecular Orbitals

โœ Scribed by Dalgarno, A; Lynn, N

Book ID
120827536
Publisher
Institute of Physics
Year
1957
Weight
367 KB
Volume
70
Category
Article
ISSN
0370-1298

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Localization, equivalence and transferab
Localization, equivalence and transferability of non-orthogonal localized molecular orbitals
โœ Xiaoping Cao; Jiazhen Wang ๐Ÿ“‚ Article ๐Ÿ“… 1988 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 456 KB

By introducing the definition of the reciprocal basis vector, the unit operator can be established, allowing vectors and operators to be represented in matrix form, and the solution of equations can be reduced to a series of basis vector transformations. By using this method and discarding the const