Combined  CI – HY  studies of atomic states. II. Compact wave functions for the be ground state | Zendy

Sims James S. | Zendy; Hagstrom Stanley A. | Zendy

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Combined CI – HY studies of atomic states. II. Compact wave functions for the be ground state

Author(s) -

Sims James S.,

Hagstrom Stanley A.

Publication year - 1975

Publication title -

international journal of quantum chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.484

H-Index - 105

eISSN - 1097-461X

pISSN - 0020-7608

DOI - 10.1002/qua.560090115

Subject(s) - energy (signal processing) , ground state , function (biology) , physics , term (time) , wave function , state (computer science) , atomic physics , mathematics , quantum mechanics , algorithm , evolutionary biology , biology

Combined CI – HY method techniques have been employed in obtaining a 57‐term CI – HY wave function with an energy of −14.66632 a.u. A method due to Brown has been adopted for obtaining this wave function and various shorter expansions. A 44‐term expansion with an energy of −14.66606 a.u. is analyzed in terms of various pair effects, and qualitative arguments are presented for understanding these effects.

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