Theoretical characterization of negative ions. Calculation of the electron affinities of carbon, oxygen, and fluorine

Keywords

Chemistry, Wave function, Electron affinity (data page), Ion, Atomic physics

References

• Gas phase ion chemistryMichael T. Bowers — 1979
• First-order wavefunctions, orbital correlation energies, and electron affinities of first-row atomsHenry F. Schaefer, Richard A. Klemm, Frank E. Harris — 1969
• Handbook of atomic dataS. Fraga, Jacek Karwowski, K. M. S. Saxena — 1976
• Negative Ion SpectroscopyReed R. Corderman, W. C. Lineberger — 1979
• Binding energies in atomic negative ionsH. Hotop, W. C. Lineberger — 1975
• Atomic Bethe-Goldstone Calculations of Term Splittings, Ionization Potentials, and Electron Affinities for B, C, N, O, F, and Ne. II. Configurational ExcitationsC. M. Moser, R. K. Nesbet — 1972
• Concerning the stability of the negative ions H- and Li-William A. Goddard — 1968
• Binding energies and structure of transition metal negative ionsC. S. Feigerle, Reed R. Corderman, S. V. Bobashev — 1981
• Gaussian Basis Functions for Use in Molecular Calculations. IV. The Representation of Polarization Functions for the First Row Atoms and HydrogenThom H. Dunning — 1971
• Symmetry-Adapted Pair Correlations in O andO−Mirco Marchetti, M. Krauß, A. W. Weiss — 1972
• Electron affinities of B, Al, Bi, and PbC. S. Feigerle, Reed R. Corderman, W. C. Lineberger — 1981
• Methylene: ab initio vibronic analysis and reinterpretation of the spectroscopic and negative ion photoelectron experimentsLawrence B. Harding, William A. Goddard — 1978
• General contraction of Gaussian atomic orbitals: Core, valence, polarization, and diffuse basis sets; Molecular integral evaluationRichard C. Raffenetti — 1973
• Correlation Energy in Atomic Systems. IV. Degeneracy EffectsE. Clementi, A. Veillard — 1966
• Laser photoelectron spectrometry of methylene(1-). Singlet-triplet splitting and electron affinity of methyleneP. F. Zittel, G. Barney Ellison, Stephen V. O'Neil — 1976
• Configuration-interaction study of atoms. I. Correlation energies of B, C, N, O, F, and NeFukashi Sasaki, M. Yoshimine — 1974
• Calculation of the electron affinity and 1A1-3B1T0 value of methylene using the ab initio MRD CI method for a large AO basisShing-Kuo Shih, Sigrid D. Peyerimhoff, Robert J. Buenker — 1978
• MCSCF optimization through combined use of natural orbitals and the brillouin–levy–berthier theoremKlaus Ruedenberg, Lap M. Cheung, Stephen T. Elbert — 1979
• Electron Affinities of the Heavy ElementsR. J. Zollweg — 1969
• Atomic Bethe-Goldstone Calculations of Term Splittings, Ionization Potentials, and Electron Affinities for B, C, N, O, F, and NeC. M. Moser, R. K. Nesbet — 1971

Cited by

• Ca+HF: The anatomy of a chemical insertion reactionRichard L. Jaffe, M. D. Pattengill, Franz Mascarello — 1987
• An improved long range potential for O(1D)+H2Stephen P. Walch, Lawrence B. Harding — 1988
• Ab initio MRD-CI calculation of the electron affinities of Si and SiH: study of three stable states of the respective negative ionsMarius Lewerenz, Pablo J. Bruna, Sigrid D. Peyerimhoff — 1983
• Electron affinity of fluorine: A quantum Monte Carlo studyR. N. Barnett, Peter Reynolds, William A. Lester — 1986
• Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functionsRick A. Kendall, Thom H. Dunning, Robert J. Harrison — 1992
• On the stabilities of the singly and doubly negative atomic ions of Si, P, S, and ClJosef Kalcher — 1987
• Variational Monte Carlo calculations for some cations and anions of the first-row atoms using explicitly correlated wave functionsF. J. Gálvez, E. Buendı́a, A. Sarsa — 2002
• Accurate theoretical estimates of the electron affinities of AHn molecules by isogyric comparisons. Proton affinities of AHn− anionsJohn A. Pople, Paul von Ragué Schleyer, José Kaneti — 1988
• Accurate calculation of the electron affinities of the group-13 atomsArnau Ferran, Fernando Mota, Juan J. Novoa — 1992
• Accurately solving the electronic Schrödinger equation of atoms and molecules using explicitly correlated (r12-) multireference configuration interaction. III. Electron affinities of first-row atomsRobert J. Gdanitz — 1999
• Quantum Monte Carlo ionization potential and electron affinity for transition metal atomsE. Buendı́a, F. J. Gálvez, Pablo Maldonado — 2013
• Spin-orbit splitting of the A2Π and D2Π states of BeF by ab initio MRD CI calculationsChristel M. Marian — 1985
• The electron affinity of oxygen: A systematic configuration interaction approachDavid Feller, Ernest R. Davidson — 1989
• Electron affinity of hydroxyl radicalDaniel M. Chipman — 1986
• MRD CI study of the electron affinity of HO2 and the photodetachment energy of HO2Gabriela Vázquez, Robert J. Buenker, Sigrid D. Peyerimhoff — 1989
• On the electron affinity of Cu atomCharles W. Bauschlicher, Stephen P. Walch, Harry Partridge — 1984
• Electron affinities of the oxides of aluminum, silicon, phosphorus, sulfur, and chlorineNicole R. Brinkmann, Gregory S. Tschumper, Henry F. Schaefer — 1999
• Low-lying electronic states of CSi- and electron affinity of CSi according to ab initio MRD-CI calculationsJosep M. Anglada, Pablo J. Bruna, Sigrid D. Peyerimhoff — 1983
• Direct versus indirect many-body methods for calculating vertical electron affinities: applications to F−, OH− , NH2−, CN−, Cl−, SH− and PH2−J. V. Ortiz — 1987
• Potential energy curves of dioxygen anion species, O-2 and O2-2Hiroshi Nakatsuji, Hiromi Nakai — 1992

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