A test of partial third order electron propagator theory: Vertical ionization energies of azabenzenes

J. V. Ortiz; V. G. Zakrzewski

doi:10.1063/1.472138

A test of partial third order electron propagator theory: Vertical ionization energies of azabenzenes

The Journal of Chemical Physics ◽

10.1063/1.472138 ◽

1996 ◽

Vol 105 (7) ◽

pp. 2762-2769 ◽

Cited By ~ 30

Author(s):

J. V. Ortiz ◽

V. G. Zakrzewski

Keyword(s):

Third Order ◽

Ionization Energies ◽

Electron Propagator ◽

Vertical Ionization Energies ◽

Propagator Theory

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Electron Propagator Theory of Ionization Energies and Dyson Orbitals for μ-Hydrido, Bridge-Bonded Molecules: Diborane, Digallane, and Gallaborane

ACS Symposium Series - Structures and Mechanisms ◽

10.1021/bk-2002-0827.ch007 ◽

2002 ◽

pp. 118-134 ◽

Cited By ~ 1

Author(s):

Gustavo Seabra ◽

V.G. Zakrzewski ◽

J. V. Ortiz

Keyword(s):

Ionization Energies ◽

Electron Propagator ◽

Propagator Theory

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Single-reference electron propagator calculations on vertical ionization energies of ozone

Chemical Physics Letters ◽

10.1016/s0009-2614(98)01125-7 ◽

1998 ◽

Vol 297 (3-4) ◽

pp. 193-199 ◽

Cited By ~ 13

Author(s):

J.V. Ortiz

Keyword(s):

Ionization Energies ◽

Electron Propagator ◽

Vertical Ionization Energies

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NR2 and P3+: Accurate, Efficient Electron-Propagator Methods for Calculating Valence, Vertical Ionization Energies of Closed-Shell Molecules

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.5b00942 ◽

2015 ◽

Vol 119 (33) ◽

pp. 8813-8821 ◽

Cited By ~ 30

Author(s):

H. H. Corzo ◽

Annia Galano ◽

O. Dolgounitcheva ◽

V. G. Zakrzewski ◽

J. V. Ortiz

Keyword(s):

Closed Shell ◽

Ionization Energies ◽

Electron Propagator ◽

Vertical Ionization Energies

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Vertical and adiabatic ionization energies of NH−4isomers via electron propagator theory and many body perturbation theory calculations with large basis sets

The Journal of Chemical Physics ◽

10.1063/1.453000 ◽

1987 ◽

Vol 87 (6) ◽

pp. 3557-3562 ◽

Cited By ~ 27

Author(s):

J. V. Ortiz

Keyword(s):

Perturbation Theory ◽

Basis Sets ◽

Many Body ◽

Ionization Energies ◽

Electron Propagator ◽

Many Body Perturbation Theory ◽

Propagator Theory

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Electron Propagator Calculations Show that Alkyl Substituents Alter Porphyrin Ionization Energies

Journal of the American Chemical Society ◽

10.1021/ja0507721 ◽

2005 ◽

Vol 127 (23) ◽

pp. 8240-8241 ◽

Cited By ~ 30

Author(s):

O. Dolgounitcheva ◽

V. G. Zakrzewski ◽

J. V. Ortiz

Keyword(s):

Ionization Energies ◽

Electron Propagator

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Electron binding energies of anionic alkali metal triatomics from partial fourth order electron propagator theory calculations

The Journal of Chemical Physics ◽

10.1063/1.455402 ◽

1988 ◽

Vol 89 (10) ◽

pp. 6353-6356 ◽

Cited By ~ 22

Author(s):

J. V. Ortiz

Keyword(s):

Alkali Metal ◽

Fourth Order ◽

Binding Energies ◽

Electron Propagator ◽

Propagator Theory ◽

Electron Binding Energies ◽

Electron Binding

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Third-order algebraic diagrammatic construction theory for electron attachment and ionization energies: Conventional and Green’s function implementation

The Journal of Chemical Physics ◽

10.1063/1.5131771 ◽

2019 ◽

Vol 151 (22) ◽

pp. 224112 ◽

Cited By ~ 3

Author(s):

Samragni Banerjee ◽

Alexander Yu. Sokolov

Keyword(s):

Green’S Function ◽

Green's Function ◽

Electron Attachment ◽

Third Order ◽

Ionization Energies ◽

Order Algebraic

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Electron Propagator Theory Approach to the Electron Binding Energies of a Prototypical Photo-Switch Molecular System: Azobenzene

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b00532 ◽

2019 ◽

Vol 123 (10) ◽

pp. 2091-2099 ◽

Cited By ~ 4

Author(s):

Gabriel F. Martins ◽

Benedito J. C. Cabral

Keyword(s):

Molecular System ◽

Binding Energies ◽

Theory Approach ◽

Electron Propagator ◽

Propagator Theory ◽

Electron Binding Energies ◽

Electron Binding

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A unitary group formulation of open-shell electron propagator theory

International Journal of Quantum Chemistry ◽

10.1002/qua.560200807 ◽

2009 ◽

Vol 20 (S15) ◽

pp. 63-63

Author(s):

Gregory Born ◽

Isaiah Shavitt

Keyword(s):

Unitary Group ◽

Open Shell ◽

Electron Propagator ◽

Shell Electron ◽

Propagator Theory

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Calculation and interpretation of total energies in electron propagator theory

The Journal of Chemical Physics ◽

10.1063/1.470545 ◽

1995 ◽

Vol 103 (13) ◽

pp. 5630-5639 ◽

Cited By ~ 13

Author(s):

J. V. Ortiz

Keyword(s):

Electron Propagator ◽

Total Energies ◽

Propagator Theory

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