Approximate method for calculating the valance-shell ionization potentials

Journal de Chimie Physique ◽

10.1051/jcp/1992890915 ◽

1992 ◽

Vol 89 ◽

pp. 915-930

Author(s):

I Jano

Keyword(s):

Approximate Method ◽

Ionization Potentials ◽

Shell Ionization

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Outer shell ionization potentials for ethane by a many-body Green's function method

Theoretica Chimica Acta ◽

10.1007/bf00554190 ◽

1981 ◽

Vol 59 (5) ◽

pp. 461-465

Author(s):

Ivo Cacelli ◽

Roberto Moccia ◽

Vincenzo Carravetta

Keyword(s):

Green’S Function ◽

Green's Function ◽

Function Method ◽

Outer Shell ◽

Ionization Potentials ◽

Many Body ◽

Green’S Function Method ◽

Shell Ionization

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Outer shell ionization potentials for ethane by a many-body Green's function method

Theoretica Chimica Acta ◽

10.1007/bf00938689 ◽

1981 ◽

Vol 59 (5) ◽

pp. 461-465 ◽

Author(s):

Ivo Cacelli ◽

Roberto Moccia ◽

Vincenzo Carravetta

Keyword(s):

Green’S Function ◽

Green's Function ◽

Function Method ◽

Outer Shell ◽

Ionization Potentials ◽

Many Body ◽

Green’S Function Method ◽

Shell Ionization

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EOM/Propagator ionization potentials: Effect of an extended operator manifold on the predicted valence-shell ionization spectra of ethane, ethylene, and acetylene

International Journal of Quantum Chemistry ◽

10.1002/qua.560270205 ◽

1985 ◽

Vol 27 (2) ◽

pp. 145-157 ◽

Author(s):

Jon Baker

Keyword(s):

Ionization Potentials ◽

Valence Shell ◽

Extended Operator ◽

Shell Ionization

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Ab initio calculation of K—shell ionization potentials for some fluorinated methanes and methanol

Journal of Electron Spectroscopy and Related Phenomena ◽

10.1016/0368-2048(77)85017-2 ◽

1977 ◽

Vol 10 (2) ◽

pp. 193-196 ◽

Author(s):

L.A. Curtiss ◽

P.W. Deutsch

Keyword(s):

Ab Initio ◽

Ab Initio Calculation ◽

Ionization Potentials ◽

Shell Ionization

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Minimal basis study of inner-shell ionization potentials for molecules containing sulfur: S,S-Diphenyl-N-p-Tolylsulfonyl-Sulfilimine

Journal of Computational Chemistry ◽

10.1002/jcc.540020212 ◽

1981 ◽

Vol 2 (2) ◽

pp. 212-217 ◽

Author(s):

G. Theodorakopoulos ◽

Á. Kucsman ◽

I. Kapovits ◽

G. Náray-Szabó ◽

I. G. Csizmadia

Keyword(s):

Ionization Potentials ◽

Minimal Basis ◽

Inner Shell Ionization ◽

Shell Ionization

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Use of core electron binding energies for the comparison of valence-shell ionization potentials and the quantification of the bonding and antibonding character of molecular orbitals

The Journal of Physical Chemistry ◽

10.1021/j150625a017 ◽

1981 ◽

Vol 85 (25) ◽

pp. 3792-3797 ◽

Author(s):

William L. Jolly

Keyword(s):

Molecular Orbitals ◽

Binding Energies ◽

Ionization Potentials ◽

Valence Shell ◽

Core Electron ◽

Shell Ionization ◽

Electron Binding Energies ◽

Electron Binding

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Theoretical calculation of valence shell ionization potentials of XF3(X=N, P, As) using the equation-of-motion coupled cluster method

Acta Physica Sinica ◽

10.7498/aps.60.053301 ◽

2011 ◽

Vol 60 (5) ◽

pp. 053301

Author(s):

Tang Hai-Yan ◽

Chen Heng-Jie ◽

Zhou Xue-Ping ◽

Cheng Xin-Lu

Keyword(s):

Theoretical Calculation ◽

Equation Of Motion ◽

Ionization Potentials ◽

Cluster Method ◽

Coupled Cluster ◽

Valence Shell ◽

Coupled Cluster Method ◽

Shell Ionization

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Valence‐Shell Ionization Potentials of Halomethanes by Photoelectron Spectroscopy. I CH3Cl, CH3Br, CH3I. Vibrational Frequencies and Vibronic Interaction in CH3Br+ and CH3Cl+

The Journal of Chemical Physics ◽

10.1063/1.1673762 ◽

1970 ◽

Vol 53 (1) ◽

pp. 178-184 ◽

Author(s):

J. L. Ragle ◽

I. A. Stenhouse ◽

D. C. Frost ◽

C. A. McDowell

Keyword(s):

Photoelectron Spectroscopy ◽

Vibrational Frequencies ◽

Vibronic Interaction ◽

Ionization Potentials ◽

Valence Shell ◽

Shell Ionization

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EOM/propagator ionization potentials: Prediction of complete valence-shell ionization spectra using direct diagonalization

Chemical Physics Letters ◽

10.1016/0009-2614(83)87357-6 ◽

1983 ◽

Vol 101 (2) ◽

pp. 136-140 ◽

Author(s):

Jon Baker

Keyword(s):

Ionization Potentials ◽

Valence Shell ◽

Shell Ionization

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Semiempirical calculations of molecular valence-shell ionization potentials by linear response theory based on coupled clusters

Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics ◽

10.1039/f29868200695 ◽

1986 ◽

Vol 82 (4) ◽

pp. 695

Author(s):

Kalyan K. Das ◽

Debashis Mukherjee ◽

Sankar P. Bhattacharyya

Keyword(s):

Linear Response ◽

Linear Response Theory ◽

Ionization Potentials ◽

Semiempirical Calculations ◽

Valence Shell ◽

Response Theory ◽

Coupled Clusters ◽

Shell Ionization

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