Articles with "natural orbitals" as a keyword



Photo by diggity_dog from unsplash

Natural orbitals of the ground state of the two-electron harmonium atom

Sign Up to like & get
recommendations!
Published in 2018 at "Theoretical Chemistry Accounts"

DOI: 10.1007/s00214-018-2362-5

Abstract: AbstractThe radial components of the natural orbitals (NOs) pertaining to the $$^1S_+$$1S+ ground state of the two-electron harmonium atom are found to satisfy homogeneous differential equations at the values of the confinement strength $$\omega $$ω… read more here.

Keywords: natural orbitals; ground state; electron harmonium; two electron ... See more keywords