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Some properties of configuration interaction matrices and their applications

โœ Scribed by J. Karwowski

Book ID
114141238
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
150 KB
Volume
537
Category
Article
ISSN
0166-1280

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๐Ÿ“œ SIMILAR VOLUMES

Some properties of symmetrized transitio
Some properties of symmetrized transition density matrices based on configuration interaction wavefunctions
โœ Annette Guldberg ๐Ÿ“‚ Article ๐Ÿ“… 1989 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 337 KB

The discrete, spinless first-order transition density matrix, rQn, associated with two electronic wavefunctions, !+'Q and 'f'a, is normally not Hermitian (or symmetric). In the real case a symmetric transition density matrix, AQs, is defined by A%" = 3 (r? +f 2"). In the present work some propertie