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Transferability of potential energy contributions from localized molecular orbitals

โœ Scribed by E. Kapuy

Book ID
112999502
Publisher
Springer-Verlag
Year
1980
Weight
207 KB
Volume
49
Category
Article
ISSN
0001-6705

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Localization, equivalence and transferab
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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