Premium
Correlation effects at a local level and CI partitions: 2 3 S State of helium
Author(s) -
LargoCabrerizo A.,
LargoCabrerizo 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.560330407
Subject(s) - helium , helium atom , excited state , wave function , atomic physics , configuration interaction , electronic correlation , physics , state (computer science) , atom (system on chip) , correlation , hartree–fock method , quantum mechanics , molecule , mathematics , geometry , algorithm , computer science , embedded system
We have extended the study of the description of local correlation effects provided by the different partitions of a configuration interaction (CI) wave function to the first excited state of the helium atom. Our analysis makes use of the local mean values of different moments of the interelectronic distance computed with the CI partitions as well as with Hartree‐Fock and Hylleraas‐type wave functions.