Lowest unoccupied molecular orbital as the resonant orbital. An investigation using the bi-variational self-consistent field method
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[1] M. Mishra,et al. Characterization of molecular shape resonances using different decouplings of the dilated electron propagator with application to 2Π CO− and 2B2g C2H4− shape resonances , 1995 .
[2] L. Cederbaum,et al. Dilatation transformation and sum rules for general potentials including self-consistent field potentials , 1994 .
[3] M. Mishra,et al. On the orbital picture of shape resonances using Feynman–Dyson amplitudes from different decouplings of the dilated electron propagator , 1994 .
[4] B. Roos,et al. Lecture notes in quantum chemistry , 1992 .
[5] J. V. Ortiz. Ground and excited states of CaCH3, CaNH2, CaOH, and CaF through electron propagator calculations , 1990 .
[6] Meyer. Optical potentials for electron-molecule scattering: A comparative study on the N2 2 Pi g resonance. , 1989, Physical review. A, General physics.
[7] P. Löwdin,et al. On the Change of Spectra Associated with Unbounded Similarity Transformations of A Many-Particle Hamiltonian and the Occurrence of Resonance States in the Method of Complex Scaling. Part II. Applications to the Hartree-Fock Scheme Based on the Bi-Variational Principle , 1989 .
[8] J. Simons,et al. Ab initio electronic structure of anions , 1987 .
[9] R. Donnelly. Complex coordinate calculation on an ethylene shape resonance , 1986 .
[10] O. Goscinski,et al. Application of the second order dilated electron propagator to the treatment of Auger and shape resonances of Be , 1983 .
[11] H. Kurtz,et al. Treatment of resonances with the dilated electron propagator: The 2P shape resonance in e‐Mg scattering , 1983 .
[12] L. Cederbaum,et al. Electron-molecule scattering in the optical-potential approach: surpassing second order , 1983 .
[13] William P. Reinhardt,et al. Complex Coordinates in the Theory of Atomic and Molecular Structure and Dynamics , 1982 .
[14] R. Donnelly. Second‐order propagator calculation of a doublet P Mg shape resonance , 1982 .
[15] E. Davidson,et al. Applicability of self‐consistent field techniques based on the complex coordinate method to metastable electronic states , 1980 .
[16] J. Simons,et al. Complex coordinate rotation of the electron propagator , 1980 .
[17] N. Moiseyev,et al. Autoionizing states of H/sub 2/ and H/sub 2/ /sup -/ using the complex-scaling method , 1979 .
[18] S. Wong,et al. Vibrational excitation of ethylene by electron impact: 1–11 eV , 1978 .
[19] K. Jordan,et al. On the electron affinities of ethylene and 1,3-butadiene , 1975 .
[20] G. Schulz,et al. Resonances in Electron Impact on Diatomic Molecules , 1973 .
[21] D. Birtwistle,et al. Vibrational excitation of N2 by resonance scattering of electrons , 1971 .
[22] Roald Hoffmann,et al. Conservation of orbital symmetry , 1968 .