Renormalized Coupled Cluster Approaches in the Cluster-in-Molecule Framework: Predicting Vertical Electron Binding Energies of the Anionic Water Clusters (H2O)n–

Peng Xu; Mark S. Gordon

doi:10.1021/jp5015498

Renormalized Coupled Cluster Approaches in the Cluster-in-Molecule Framework: Predicting Vertical Electron Binding Energies of the Anionic Water Clusters (H2O)n–

The Journal of Physical Chemistry A ◽

10.1021/jp5015498 ◽

2014 ◽

Vol 118 (35) ◽

pp. 7548-7559 ◽

Cited By ~ 7

Author(s):

Peng Xu ◽

Mark S. Gordon

Keyword(s):

Water Clusters ◽

Binding Energies ◽

Coupled Cluster ◽

Electron Binding Energies ◽

Electron Binding

Download Full-text

Electron binding energies of water clusters: Implications for the electronic properties of liquid water

Chemical Physics Letters ◽

10.1016/j.cplett.2006.08.046 ◽

2006 ◽

Vol 429 (1-3) ◽

pp. 129-135 ◽

Cited By ~ 25

Author(s):

Paulo Cabral do Couto ◽

Benedito J. Costa Cabral ◽

Sylvio Canuto

Keyword(s):

Electronic Properties ◽

Liquid Water ◽

Water Clusters ◽

Binding Energies ◽

Electron Binding Energies ◽

Electron Binding

Download Full-text

Electron binding energies of dipole-bound anions at the coupled cluster level with single, double, and triple excitations: HCN− and HNC−

The Journal of Chemical Physics ◽

10.1063/1.1445743 ◽

2002 ◽

Vol 116 (8) ◽

pp. 3297-3299 ◽

Cited By ~ 20

Author(s):

Kirk A. Peterson ◽

Maciej Gutowski

Keyword(s):

Binding Energies ◽

Coupled Cluster ◽

Cluster Level ◽

Electron Binding Energies ◽

Electron Binding

Download Full-text

Anionic water clusters with large vertical electron binding energies and their electronic spectra: (H2O)11– and (H2O)14–

Physical Chemistry Chemical Physics ◽

10.1039/b211893a ◽

2003 ◽

Vol 5 (6) ◽

pp. 1130-1136 ◽

Cited By ~ 22

Author(s):

Andrzej L. Sobolewski ◽

Wolfgang Domcke

Keyword(s):

Electronic Spectra ◽

Water Clusters ◽

Binding Energies ◽

Electron Binding Energies ◽

Electron Binding

Download Full-text

Atomic electron binding energies in fermium

Physical Review A ◽

10.1103/physreva.23.391 ◽

1981 ◽

Vol 23 (2) ◽

pp. 391-394 ◽

Cited By ~ 8

Author(s):

M. P. Das

Keyword(s):

Binding Energies ◽

Atomic Electron ◽

Electron Binding Energies ◽

Electron Binding

Download Full-text

Microsolvation effects on the electron binding energies of halide anions

Molecular Physics ◽

10.1080/00268976.2013.812756 ◽

2013 ◽

Vol 112 (3-4) ◽

pp. 332-339 ◽

Cited By ~ 1

Author(s):

O. Dolgounitcheva ◽

V.G. Zakrzewski ◽

L. Streit ◽

J.V. Ortiz

Keyword(s):

Binding Energies ◽

Halide Anions ◽

Electron Binding Energies ◽

Electron Binding

Download Full-text

Beyond Koopmans’ theorem: electron binding energies in disordered materials

Journal of Physics Condensed Matter ◽

10.1088/1361-648x/aaf130 ◽

2018 ◽

Vol 31 (4) ◽

pp. 043001 ◽

Cited By ~ 3

Author(s):

Eva Muchová ◽

Petr Slavíček

Keyword(s):

Binding Energies ◽

Disordered Materials ◽

Koopmans Theorem ◽

Electron Binding Energies ◽

Electron Binding

Download Full-text

Cluster growth and core-electron binding energies in supported metal clusters

Physical Review B ◽

10.1103/physrevb.37.844 ◽

1988 ◽

Vol 37 (2) ◽

pp. 844-847 ◽

Cited By ~ 190

Author(s):

G. K. Wertheim ◽

S. B. DiCenzo

Keyword(s):

Metal Clusters ◽

Binding Energies ◽

Cluster Growth ◽

Core Electron ◽

Supported Metal Clusters ◽

Electron Binding Energies ◽

Supported Metal ◽

Electron Binding

Download Full-text

Prediction of core electron binding energies with a four-parameter equation

Journal of the American Chemical Society ◽

10.1021/ja00437a013 ◽

1976 ◽

Vol 98 (21) ◽

pp. 6500-6504 ◽

Cited By ~ 20

Author(s):

William L. Jolly ◽

Albert A. Bakke

Keyword(s):

Binding Energies ◽

Core Electron ◽

Parameter Equation ◽

Electron Binding Energies ◽

Electron Binding

Download Full-text

Photoelectron spectrum of valence anions of uracil and first-principles calculations of excess electron binding energies

The Journal of Chemical Physics ◽

10.1063/1.2965128 ◽

2008 ◽

Vol 129 (5) ◽

pp. 054309 ◽

Cited By ~ 34

Author(s):

Rafał A. Bachorz ◽

Wim Klopper ◽

Maciej Gutowski ◽

Xiang Li ◽

Kit H. Bowen

Keyword(s):

First Principles ◽

Photoelectron Spectrum ◽

Binding Energies ◽

Excess Electron ◽

First Principles Calculations ◽

Electron Binding Energies ◽

Electron Binding

Download Full-text

ChemInform Abstract: 2p Electron Binding Energies for the Sulfur Atoms in Metal Polysulfides.

ChemInform ◽

10.1002/chin.198715014 ◽

1987 ◽

Vol 18 (15) ◽

Author(s):

S. C. TERMES ◽

A. N. BUCKLEY ◽

R. D. GILLARD

Keyword(s):

Binding Energies ◽

Electron Binding Energies ◽

Electron Binding

Download Full-text