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EQMO: Equation of motion method for efficient electronic structure calculations

Computer physics communications, 2021-10, Vol.267, p.108064, Article 108064

2021

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A Density Functional Theory and Electron Momentum Spectroscopy Study into the Complete Valence Electronic Structure of Cubane

Journal of the American Chemical Society, 2000-04, Vol.122 (16), p.3892-3900

2000

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Theoretical and (e,2e) Experimental Investigation into the Complete Valence Electronic Structure of [1.1.1]Propellane

Journal of the American Chemical Society, 1997-03, Vol.119 (12), p.2896-2904

1997

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Application of DFT and EMS to the Study of Strained Organic Molecules

Australian journal of physics, 1998, Vol.51 (4), p.707

1998

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An electron momentum spectroscopy and density functional theory investigation into the complete valence electronic structure of ethylene oxide

Journal of physics. B, Atomic, molecular, and optical physics, 1999-07, Vol.32 (13), p.3239-3253

1999

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Electronic properties of disordered anodic TiO2 (001) surfaces: Application of the equation-of-motion method

Surface and interface analysis, 1992-02, Vol.18 (2), p.87-92

1992

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Correction to image potential between metals

Physics letters. A, 1986-07, Vol.116 (8), p.392-394

1986

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Core molecular orbital contribution to N2O isomerization as studied using theoretical electron momentum spectroscopy

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2001-01, Vol.57 (1), p.9-15

2001

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Momentum distributions and molecular property information for trans 1,3 butadiene: An electron momentum spectroscopy and density functional theory investigation

The Journal of chemical physics, 1998-02, Vol.108 (5), p.1859-1873

1998

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Interaction potential of a charged particle in a plane-sphere geometry

Australian journal of physics, 1987, Vol.40 (3), p.413-422

1987

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Diagnosing the root-causes of failures from cluster log files

2010 International Conference on High Performance Computing, 2010, p.1-10

2010

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Identification of plasmons on small metallic particles

Physical review. B, Condensed matter, 1992-06, Vol.45 (23), p.13664-13670

MICHALEWICZ, M. T

1992

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On the Gaskell Approximation for Structure Factors of Liquid Metals

Physics and chemistry of liquids, 1985-01, Vol.14 (3), p.211-218

1985

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Electron momentum spectroscopy of [1.1.1]propellane

Chemical physics letters, 1995-10, Vol.244 (5), p.433-439

1995

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Perfect scaling of the electronic structure problem on a SIMD architecture

Parallel computing, 1995-05, Vol.21 (5), p.853-870

1995

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On the density dependence of the mean density approximation

Journal of physics. F, Metal physics, 1985-07, Vol.15 (7), p.L181-L183

1985

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Electronic structure of multiple vacancies in rutile TiO2 by the equation-of-motion method

Physical review. B, Condensed matter, 1990-05, Vol.41 (14), p.10165-10170

1990

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Interaction of a charged particle with a solid surface: general formalism and spherical geometry

Journal of physics. C, Solid state physics, 1986-09, Vol.19 (25), p.5005-5018

1986

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Role of oxygen vacancies in anodic TiO2 thin films

Applied surface science, 1993-03, Vol.65-66, p.246-251

1993

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Electron-momentum spectroscopy of fullerene

Physical review. B, Condensed matter, 1997-07, Vol.56 (3), p.1309-1315

1997

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Equation of motion method for the electronic structure of disordered transition metal oxides

Computer physics communications, 1992, Vol.71 (3), p.222-234

1992

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Massively parallel calculations of the electronic structure of non-periodic micro-crystallites of transition metal oxides

Computer physics communications, 1994, Vol.79 (1), p.13-23

Michalewicz, Marek T.

1994

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Collective electronic excitations on C60 molecule

Solid state communications, 1992-12, Vol.84 (12), p.1121-1125

1992

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Electron momentum spectroscopy studies on atom and molecules using monochromated electrons

Le Journal de Physique IV, 1999-06, Vol.9 (PR6), p.Pr6-115-Pr6-118

1999

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Collective electronic excitations on C 60 molecule

Solid state communications, 1992-12, Vol.84 (12), p.1121-1125

1992

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EQMO: Equation of motion method for efficient electronic structure calculations

A Density Functional Theory and Electron Momentum Spectroscopy Study into the Complete Valence Electronic Structure of Cubane

Theoretical and (e,2e) Experimental Investigation into the Complete Valence Electronic Structure of [1.1.1]Propellane

Application of DFT and EMS to the Study of Strained Organic Molecules

An electron momentum spectroscopy and density functional theory investigation into the complete valence electronic structure of ethylene oxide

Electronic properties of disordered anodic TiO2 (001) surfaces: Application of the equation-of-motion method

Correction to image potential between metals

Core molecular orbital contribution to N2O isomerization as studied using theoretical electron momentum spectroscopy

Momentum distributions and molecular property information for trans 1,3 butadiene: An electron momentum spectroscopy and density functional theory investigation

Interaction potential of a charged particle in a plane-sphere geometry

Diagnosing the root-causes of failures from cluster log files

Identification of plasmons on small metallic particles

On the Gaskell Approximation for Structure Factors of Liquid Metals

Electron momentum spectroscopy of [1.1.1]propellane

Perfect scaling of the electronic structure problem on a SIMD architecture

On the density dependence of the mean density approximation

Electronic structure of multiple vacancies in rutile TiO2 by the equation-of-motion method

Interaction of a charged particle with a solid surface: general formalism and spherical geometry

Role of oxygen vacancies in anodic TiO2 thin films

Electron-momentum spectroscopy of fullerene

Equation of motion method for the electronic structure of disordered transition metal oxides

Massively parallel calculations of the electronic structure of non-periodic micro-crystallites of transition metal oxides

Collective electronic excitations on C60 molecule

Electron momentum spectroscopy studies on atom and molecules using monochromated electrons

Collective electronic excitations on C 60 molecule

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