Simple wavefunctions for dipositronium and the relationship between this species and the hydrogen molecule | Zendy

Dunne Lawrence J. | Zendy; Murrell John N. | Zendy

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Simple wavefunctions for dipositronium and the relationship between this species and the hydrogen molecule

Author(s) -

Dunne Lawrence J.,

Murrell John N.

Publication year - 2003

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.10773

Subject(s) - wave function , simple (philosophy) , hydrogen molecule , electron , ground state , molecule , basis (linear algebra) , chemistry , quantum , physics , computational chemistry , quantum mechanics , atomic physics , mathematics , geometry , philosophy , epistemology

Dipositronium (two electrons and two positrons) has a closer relationship to the hydrogen molecule than has often been assumed in past treatments. This article shows that appropriately modified mixtures of simple molecular orbital and Heitler–London wavefunctions are a good basis for the ground state of this species. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2004

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