Premium
Considerations on Gaussian expanded generator coordinate wave functions
Author(s) -
Mohallem José R.,
Trsic Milan
Publication year - 1988
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.560330607
Subject(s) - wave function , generator (circuit theory) , gaussian , discretization , cusp (singularity) , gaussian function , physics , mathematical analysis , computer science , mathematics , quantum mechanics , geometry , power (physics)
The recently developed integral discretization technique for the generator coordinate method is applied to discuss some features of Gaussian expanded wave functions. Using the hydrogen atom ground state, it is shown that the nuclear cusp problem has an interesting relation with the generator coordinator weight function, which allows the production of accurate wave functions by an integration criterion.