Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Single-determinant HF calculations

Single-determinant HF calculations by Ewing and Pfeiffer on C (n = 2 to 6) [227]. MNDO calculations by Bemholc and Phillips for neutral and charged chains and monocyclic rings up to = 25 [228]. For neutral clusters, linear chains were found to be the preferred structures up to n = 9 (as compared with cyclic isomers), with the odd-... [Pg.16]

See other pages where Single-determinant HF calculations is mentioned: [Pg.12]    [Pg.12]    [Pg.156]   
See also in sourсe #XX -- [ Pg.16 ]



SEARCH



HF determinant

HFS calculations

Single determinant

© 2024 chempedia.info