Benchmarking Electronic Structure Calculations on the Bare UO22+ Ion: How Different are Single and Multireference Electron Correlation Methods?

F. Real; A.S.P. Gomes; L. Visscher; V. Vallet; E. Eliav

doi:10.1021/jp903758c

Benchmarking Electronic Structure Calculations on the Bare UO22+ Ion: How Different are Single and Multireference Electron Correlation Methods?

F. Real, A.S.P. Gomes, L. Visscher, V. Vallet, E. Eliav

Theoretical Chemistry

Research output: Contribution to Journal › Article › Academic › peer-review

Abstract

In a recent investigation by some of us on the spectrum of the uranyl (UO

Original language	English
Pages (from-to)	12504-12511
Journal	Journal of Physical Chemistry A
Volume	113
Issue number	45
DOIs	https://doi.org/10.1021/jp903758c
Publication status	Published - 2009

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10.1021/jp903758c

Cite this

@article{135970ecc1104e938c01c4790c4374f0,

title = "Benchmarking Electronic Structure Calculations on the Bare UO22+ Ion: How Different are Single and Multireference Electron Correlation Methods?",

abstract = "In a recent investigation by some of us on the spectrum of the uranyl (UO",

author = "F. Real and A.S.P. Gomes and L. Visscher and V. Vallet and E. Eliav",

year = "2009",

doi = "10.1021/jp903758c",

language = "English",

volume = "113",

pages = "12504--12511",

journal = "The Journal of Physical Chemistry A",

issn = "1089-5639",