Premium
The sequential product of geminals and the ground states of some atoms
Author(s) -
Jiang X. Q.,
Jin B. Y.,
Zeng Z. H.,
Sun C. C.,
Coleman A. J.
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.560340103
Subject(s) - ground state , function (biology) , product (mathematics) , electron , chemistry , order (exchange) , point (geometry) , set (abstract data type) , molecule , physics , atomic physics , statistical physics , computational chemistry , quantum mechanics , mathematics , computer science , programming language , geometry , finance , evolutionary biology , economics , biology
By means of the SPG function which is associated with an extreme point of the set of N ‐representable second‐order reduced density matrices, an attempt is made to perform the calculations of the ground states of some atoms with four electrons such as Be. The results show that the SPG function is as suitable as the well‐known AGP function for approximating the ground states of atoms and molecules.