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Andersen, Earl, Simons, Jack (1977) An analysis of the natural orbital theory of ionization potentials. The Journal of Chemical Physics, 66 (3) 1067-1069 doi:10.1063/1.434063

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Reference TypeJournal (article/letter/editorial)
TitleAn analysis of the natural orbital theory of ionization potentials
JournalThe Journal of Chemical Physics
AuthorsAndersen, EarlAuthor
Simons, JackAuthor
Year1977 (February)Volume66
Issue3
PublisherAIP Publishing
DOIdoi:10.1063/1.434063Search in ResearchGate
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Mindat Ref. ID2109309Long-form Identifiermindat:1:5:2109309:0
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Full ReferenceAndersen, Earl, Simons, Jack (1977) An analysis of the natural orbital theory of ionization potentials. The Journal of Chemical Physics, 66 (3) 1067-1069 doi:10.1063/1.434063
Plain TextAndersen, Earl, Simons, Jack (1977) An analysis of the natural orbital theory of ionization potentials. The Journal of Chemical Physics, 66 (3) 1067-1069 doi:10.1063/1.434063
In(1977, February) The Journal of Chemical Physics Vol. 66 (3) AIP Publishing

See Also

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Andersen, Earl, Simons, Jack (1977) A calculation of the electron detachment energy of NO2−. The Journal of Chemical Physics, 66 (6) 2427-2430 doi:10.1063/1.434280
Andersen, Earl, Simons, Jack (1976) A calculation of the photodetachment energy of NH2−. The Journal of Chemical Physics, 65 (12) 5393-5397 doi:10.1063/1.433042
Andersen, Earl, Simons, Jack (1976) A calculation of the electron affinity of the lithium molecule. The Journal of Chemical Physics, 64 (11) 4548-4550 doi:10.1063/1.432086
Chen, Tsung-Tai, Simons, Jack, Jordan, K.D. (1976) Analysis of the equation-of-motion theory of electron affinities and ionization potentials. Chemical Physics, 14. 145-158 doi:10.1016/0301-0104(76)80033-x
Griffing, Karen M., Simons, Jack (1976) Theoretical studies of molecular ions. Ionization potentials of CN− and BO−. The Journal of Chemical Physics, 64 (9) 3610-3614 doi:10.1063/1.432712
Piris, Mario, Matxain, Jon M., Lopez, Xabier, Ugalde, Jesus M. (2012) The extended Koopmans’ theorem: Vertical ionization potentials from natural orbital functional theory. The Journal of Chemical Physics, 136 (17). 174116pp. doi:10.1063/1.4709769
Smith, Wesley D., Chen, Tsung‐Tai, Simons, Jack (1974) Theoretical studies of molecular ions. Vertical ionization potentials of hydrogen fluoride. The Journal of Chemical Physics, 61 (7) 2670-2674 doi:10.1063/1.1682397
Simons, Gary (1975) Integral Hellmann–Feynman analysis of nonisoelectronic processes and the determination of local ionization potentials. The Journal of Chemical Physics, 63 (5) 2206-2210 doi:10.1063/1.431601
Simons, Jack (1974) The self-consistent determination of the ion and neutral molecule wavefunctions in a theory of electron affinities and ionization potentials. Chemical Physics Letters, 25. 122-128 doi:10.1016/0009-2614(74)80348-9
Earl, Edward, Hernandez, Ramon, Simons, Jack (1992) The B3Li molecule’s electronic and geometrical structure. The Journal of Chemical Physics, 97 (11). 8357-8360 doi:10.1063/1.463405
Boldyrev, Alexander I., Simons, Jack (1993) Vertical and adiabatical ionization potentials of MH−K+1 anions. Ab initio study of the structure and stability of hypervalent MHk+1 molecules. The Journal of Chemical Physics, 99 (6). 4628-4637 doi:10.1063/1.466061
 
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