Premium
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