Koopmans' Analysis of Chemical Hardness with Spectral-Like Resolution
Three approximation levels of Koopmans' theorem are explored and applied: the first referring to the inner quantum behavior of the orbitalic energies that depart from the genuine ones in Fock space when the wave-functions' Hilbert-Banach basis set is specified to solve the many-electronic...
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| Main Author: | |
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| Format: | Article |
| Language: | English |
| Published: |
Wiley
2013-01-01
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| Series: | The Scientific World Journal |
| Online Access: | http://dx.doi.org/10.1155/2013/348415 |
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