Ionization energies of hydrogen-bonded dimers with the outer-valence Green’s function method

Chemical Physics ◽

10.1016/j.chemphys.2020.111031 ◽

2021 ◽

Vol 541 ◽

pp. 111031

Author(s):

Bastien Casier ◽

Stéphane Carniato ◽

Tsveta Miteva ◽

Nicolas Sisourat ◽

Nathalie Capron

Keyword(s):

Green’S Function ◽

Green's Function ◽

Function Method ◽

Green’S Function Method ◽

Ionization Energies ◽

Outer Valence ◽

Hydrogen Bonded

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Ionization energies of azines from green's function method in semiempirical AM1 approximation

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(89)85034-1 ◽

1989 ◽

Vol 188 (1-2) ◽

pp. 159-166 ◽

Author(s):

David Danovich ◽

Vechelslav Zakrzewski ◽

Elena Domnina

Keyword(s):

Green’S Function ◽

Green's Function ◽

Function Method ◽

Green’S Function Method ◽

Ionization Energies

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Ionization energies of triazines and tetrazines. Application of Green's function method coupled with semiempirical molecular orbital calculations

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29910001865 ◽

1991 ◽

pp. 1865 ◽

Author(s):

David Danovich ◽

Yitzhak Apeloig

Keyword(s):

Green’S Function ◽

Molecular Orbital ◽

Green's Function ◽

Function Method ◽

Molecular Orbital Calculations ◽

Green’S Function Method ◽

Ionization Energies ◽

Semiempirical Molecular Orbital

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The one-particle Green’s function method in the Dirac–Hartree–Fock framework. I. Second-order valence ionization energies of Ne through Xe

The Journal of Chemical Physics ◽

10.1063/1.1643719 ◽

2004 ◽

Vol 120 (9) ◽

pp. 4098-4106 ◽

Author(s):

M. Pernpointner ◽

A. B. Trofimov

Keyword(s):

Green’S Function ◽

Green's Function ◽

Function Method ◽

Second Order ◽

Green’S Function Method ◽

Ionization Energies ◽

Hartree Fock ◽

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The one-particle Green’s function method in the Dirac–Hartree–Fock framework. II. Third-order valence ionization energies of the noble gases, CO and ICN

The Journal of Chemical Physics ◽

10.1063/1.1802792 ◽

2004 ◽

Vol 121 (18) ◽

pp. 8782-8791 ◽

Author(s):

M. Pernpointner

Keyword(s):

Green’S Function ◽

Green's Function ◽

Function Method ◽

Noble Gases ◽

Third Order ◽

Green’S Function Method ◽

Ionization Energies ◽

Hartree Fock ◽

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Outer-valence Green’s function method using natural orbitals for ultrafast electron density dynamics

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2011.05.024 ◽

2011 ◽

Vol 970 (1-3) ◽

pp. 42-47 ◽

Author(s):

Ioannis Thanopulos

Keyword(s):

Green’S Function ◽

Electron Density ◽

Green's Function ◽

Function Method ◽

Green’S Function Method ◽

Natural Orbitals ◽

Density Dynamics ◽

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Ionization Energies of Linear and Cyclic Polysilanes. Application of the Green's Function Method Coupled with Semiempirical Molecular Orbital Calculations

Organometallics ◽

10.1021/om950583z ◽

1996 ◽

Vol 15 (1) ◽

pp. 350-360 ◽

Author(s):

Yitzhak Apeloig ◽

David Danovich

Keyword(s):

Green’S Function ◽

Molecular Orbital ◽

Green's Function ◽

Function Method ◽

Molecular Orbital Calculations ◽

Green’S Function Method ◽

Ionization Energies ◽

Semiempirical Molecular Orbital

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Ionization energies of some molecules found in interstellar clouds calculated by a green's function method

Journal of Electron Spectroscopy and Related Phenomena ◽

10.1016/0368-2048(82)80016-9 ◽

1982 ◽

Vol 28 (1) ◽

pp. 45-78 ◽

Author(s):

W. Von Niessen ◽

L.S. Cederbaum ◽

J. Schirmer ◽

G.H.F. Diercksen ◽

W.P. Kraemer

Keyword(s):

Green’S Function ◽

Green's Function ◽

Function Method ◽

Green’S Function Method ◽

Ionization Energies ◽

Interstellar Clouds

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Ionization energies of the metal halides ZnCl2, CdCl2, GaCl, InCl, GaCl3, ZnF2 and CdF2 calculated by a green's function method

Journal of Electron Spectroscopy and Related Phenomena ◽

10.1016/0368-2048(85)80091-8 ◽

1985 ◽

Vol 37 (1) ◽

pp. 187-206 ◽

Author(s):

W. Von Niessen

Keyword(s):

Green’S Function ◽

Green's Function ◽

Function Method ◽

Metal Halides ◽

Green’S Function Method ◽

Ionization Energies

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Green's function method for the calculation of the properties of atoms with two inner holes. I. Absolute ionization energies

Soviet Physics Journal ◽

10.1007/bf00894734 ◽

1978 ◽

Vol 21 (3) ◽

pp. 354-357

Author(s):

A. N. Pavlov ◽

R. V. Vedrinskii ◽

V. V. Krivitskii

Keyword(s):

Green’S Function ◽

Green's Function ◽

Function Method ◽

Green’S Function Method ◽

Ionization Energies

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THE ATOMISTIC GREEN'S FUNCTION METHOD FOR INTERFACIAL PHONON TRANSPORT

Annual Reviews of Heat Transfer ◽

10.1615/annualrevheattransfer.2014006986 ◽

2014 ◽

Vol 17 (N/A) ◽

pp. 89-145 ◽

Author(s):

Sridhar Sadasivam ◽

Yuhang Che ◽

Zhen Huang ◽

Liang Chen ◽

Satish Kumar ◽

...

Keyword(s):

Green’S Function ◽

Green's Function ◽

Function Method ◽

Phonon Transport ◽

Green’S Function Method

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