Approximations to Self-Consistent Field Molecular Wavefunctions

Unparameterized and parameterized versions are outlined of a new method for approximating self-consistent field wavefunctions from first principles at the minimum basis set level for complex molecules containing hydrogen and first-row atoms. The Hartree-Fock self-consistent field equations for close...

Fuld beskrivelse

Bibliografiske detaljer

Udgivet i:	Proc Natl Acad Sci U S A
Principais autores:	Halgren, Thomas A., Lipscomb, William N.
Format:	Artigo
Sprog:	Inglês
Udgivet:	National Academy of Sciences 1972
Fag:	Physical Sciences: Chemistry
Online adgang:	https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC426528/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/16591968/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.69.3.652
Tags:	Tilføj Tag Ingen Tags, Vær først til at tagge denne postø!