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Extended‐Koopmans ‐ theorem approach to ab initio calculations upon the ground state and first excited state of the LiH anion

1986; Wiley; Volume: 30; Issue: 5 Linguagem: Inglês

10.1002/qua.560300505

1097-461X

Ludwik Adamowicz, James C. Ellenbogen, E. A. McCullough,

Spectroscopy and Quantum Chemical Studies

International Journal of Quantum ChemistryVolume 30, Issue 5 p. 617-623 Article Extended-Koopmans - theorem approach to ab initio calculations upon the ground state and first excited state of the LiH anion Ludwik Adamowicz, Ludwik Adamowicz Quantum Theory Project, University of Florida, Gainesville, Florida 32611Search for more papers by this authorJames C. Ellenbogen, James C. Ellenbogen MITRE Corporation, McLean, Virginia 22101Search for more papers by this authorE. A. McCullough Jr., E. A. McCullough Jr. Department of Chemistry and Biochemistry, Utah State University, Logan, Utah 84322Search for more papers by this author Ludwik Adamowicz, Ludwik Adamowicz Quantum Theory Project, University of Florida, Gainesville, Florida 32611Search for more papers by this authorJames C. Ellenbogen, James C. Ellenbogen MITRE Corporation, McLean, Virginia 22101Search for more papers by this authorE. A. McCullough Jr., E. A. McCullough Jr. Department of Chemistry and Biochemistry, Utah State University, Logan, Utah 84322Search for more papers by this author First published: November 1986 https://doi.org/10.1002/qua.560300505Citations: 8AboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onEmailFacebookTwitterLinkedInRedditWechat Bibliography 1 O. W. Day, D. W. Smith, and C. Garrod, Int. J. Quantum Chem. Symp. 8, 501 (1975). 2 D. W. Smith and O. W. Day, J. Chem. Phys. 62, 113 (1975). 3 L. Adamowicz and E. A. McCullough, J. Chem. Phys. 75, 2475 (1981). 4 O. H. Crawford, Proc. Phys. Soc. London 91, 279 (1967). 5 O. H. Crawford, Mol. Phys. 20, 585 (1971). 6 J. C. Ellenbogen, D. W. Smith, O. W. Day, and R. C. Morrison, J. Chem. Phys. 66, 4795 (1977). 7 P. O. Löwdin, Phys. Rev. 97, 1474 (1955). 8 Y. Yoshioka and K. D. Jordan, J. Chem. Phys. 73, 5899 (1980). 9 for atoms: E. Clementi, and A. D. McLean, Phys. Rev. A133, 419 (1964); for molecules: see Ref. 8. 10 B. Liu, K. O-Ohata, and H. Kirby-Docken, J. Chem. Phys. 67, 1853 (1977). 11 L. Adamowicz and E. A. McCullough, J. Phys. Chem. 88, 2045 (1984). 12 L. Adamowicz and R. J. Bartlett, J. Chem. Phys. 83, 6268 (1985). Citing Literature Volume30, Issue5November 1986Pages 617-623 ReferencesRelatedInformation