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The one-particle green's function: The minimal basis set description of the two-electron bond

✍ Scribed by Attila Szabo

Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
449 KB
Volume
36
Category
Article
ISSN
0009-2614

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✦ Synopsis

The ionization potential (IP), elzc:ron zffmity (EA). one-matrix and correlation energy of a two-electron chemical bond are calculated in B minimal basis set usin? one-particle, many-body Green's function theory. Results obtained using the second-order self-energy (2) and higher-order S'S proposed by (1) Pickup and Goscinski, (2) Tsui and Freed, (3) Simons and Smith are compared with each other and with the exact values in the bnsis. The relationship between these methods and with configuration interaction is discussed and the consequences of making approsimations in the context of Green's function theory are &riSed.

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